1. Weiwei He, Hongbo Zhang, Xudong Lin, Lili Zhu, Tingting Zheng, Hao Pei, Yang Tian, Min Zhang, Guoyue Shi, Lei Wu, Jianlong Zhao, Gulinuer Wumaier, Shengqing Li, Yufang Xu, Honglin Li*, Xuhong Qian*. Advancements in life-on-a-chip: The impact of “Beyond Limits Manufacturing” technology. Chin. Chem. Lett., 2024. 35(5) : 109091 Detail

2. Zhen Yuan, Xingyu Chen, Sisi Fan, Longfeng Chang, Linna Chu, Ying Zhang, Jie Wang, Shuang Li, Jinxin Xie, Jianguo Hu, Runyu Miao, Lili Zhu, Zhenjiang Zhao, Honglin Li*, Shiliang Li*. Binding Free Energy Calculation Based on the Fragment Molecular Orbital Method and Its Application in Designing Novel SHP-2 Allosteric Inhibitors. Int. J. Mol. Sci., 2024. 25(1) : 671 Detail

3. Lingyan Zheng, Shuiyang Shi, Xiuna Sun, Mingkun Lu, Yang Liao, Sisi Zhu, Hongning Zhang, Ziqi Pan, Pan Fang, Zhenyu Zeng, Honglin Li, Zhaorong Li, Weiwei Xue, Feng Zhu*. MoDAFold: a strategy for predicting the structure of missense mutant protein based on AlphaFold2 and molecular dynamics. Briefings Bioinf., 2024. 25(2) : bbae006 Detail

4. Qihong Huang, Tianhao Yang, Yunpeng Song, Wenxuan Sun, Jian Xu*, Ya Cheng*, Ruixue Yin, Lili Zhu, Mengting Zhang, Lei Ma, Honglin Li, Hongbo Zhang*. A three-dimensional (3D) liver–kidney on a chip with a biomimicking circulating system for drug safety evaluation. Lab Chip., 2024. DOI: 10.1039/d3lc00980g Detail

5. Lingyan Zheng, Shuiyang Shi, Mingkun Lu, Pan Fang, Ziqi Pan, Hongning Zhang, Zhimeng Zhou, Hanyu Zhang, Minjie Mou, Shijie Huang, Lin Tao, Weiqi Xia, Honglin Li, Zhenyu Zeng, Shun Zhang, Yuzong Chen, Zhaorong Li*, Feng Zhu*. AnnoPRO: a strategy for protein function annotation based on multi-scale protein representation and a hybrid deep learning of dual-path encoding. Genome Biol., 2024. 25 : 41 Detail

6. Hongxia Li*, Jiahao Li, Du Qiao, Xiyang Wang, Danyang Zhao, Jun Yan, Honglin Li, Xuhong Qian. Mixing in a co-flow-focusing structured droplet-based micromixer. Chem. Eng. Sci., 2024. 288 : 119854 Detail

7. Yanyu Ma, Yidan Song, Junyi Wang, Xiayu Shi, Zhen Yuan, Shuang Li, Honglin Li, Zhuo Chen*, Shiliang Li*. Discovery of novel covalent inhibitors of DJ-1 through hybrid virtual screening. Future Med. Chem., 2024. DOI: 10.4155/fmc-2023-0301 Detail

8. Wei Gao, Shiyi Gan, Mengting Zhang, Asuka Inoue, Mengting Xie, Huan He, Huan Zhu, Shanshan Guo, Chen Qiu, Di Chang, Jinling Yu, Zhuo Deng, Fang Ye, Shiliang Li, Jian Zhang, Zhenjiang Zhao, Mengzhu Xue, Bernard Ofosuhene, Yufang Xu, Honghuang Lin, Xuhong Qian, Lili Zhu, Yang Du, Honglin Li. Structural insights into sphingosine 1-phosphate receptor 4 activation. bioRxiv, 2024. DOI: 10.1101/2024.03.02.583092 Detail

9. Kai Zhang, Junchen Shen, Gaoqi He, Yu Sun, Haibin Ling, Hongyuan Zha, Honglin Li, Jie Zhang. A Transformative Topological Representation for Link Modeling, Prediction and Cross-Domain Network Analysis. IEEE Transactions on Pattern Analysis and Machine Intelligence, 2024. DOI: 10.1109/TPAMI.2024.3378729 Detail

1. Yanyan Diao, Feng Hu, Zihao Shen, Honglin Li*. MacFrag: segmenting large-scale molecules to obtain diverse fragments with high qualities. Bioinformatics, 2023. 39(1) : btad012 Detail

2. Wenyi Mei, Sisi Fan, Yufei Han, Cunjian Shi, Lijie Qiu, Yunheng Shen, Zhenjiang Zhao*, Yufang Xu*, Honglin Li*. A Simple Monoselective C-H oxygenation Approach for the Synthesis of Ursane Triterpenoids. Org. Biomol. Chem., 2023. 21 : 1395-1398 Detail

3. Anqi Yang, Xiang Lin, Zijian Liu, Xin Duan, Yurou Yuan, Jiaxuan Zhang, Qilin Liang, Xianglin Ji, Nannan Sun, Huajun Yu, Weiwei He, Lili Zhu, Bingzhe Xu*, Bingzhe Xu*, Xudong Lin*. Worm Generator: A System for High-Throughput in Vivo Screening. Nano Lett., 2023. 23(4) : 1280–1288 Detail

4. Wenxuan Sun, Zijia Liu, Jian Xu, Ya Cheng, Ruixue Yin, Lei Ma, Honglin Li, Xuhong Qian, Hongbo Zhang*. 3D skin models along with skin-on-a-chip systems: A critical review. Chin. Chem. Lett., 2023. 34(5) : 107819 Detail

5. Xuechao Jia, Penglei Wang, Chuntian Huang, Dengyun Zhao, Qiong wu, Bingbing Lu, Wenna Nie, Limeng Huang, Xueli Tian, Pan li, Kyle Vaughn Laster, Yanan Jiang, Xiang Li, Honglin Li*, Zigang Dong*, Kangdong Liu*. Toosendanin targeting eEF2 impedes Topoisomerase I & II protein translation to suppress esophageal squamous cell carcinoma growth. J. Exp. Clin. Cancer Res., 2023. 42 : 97 Detail

6. Mingkun Lu, Jiayi Yin, Qi Zhu, Gaole Lin, Minjie Mou, Fuyao Liu, Ziqi Pan, Nanxin You, Xichen Lian, Fengcheng Li, Hongning Zhang, Lingyan Zheng, Wei Zhang, Hanyu Zhang, Zihao Shen, Zhen Gu, Honglin Li*, Feng Zhu*. Artificial Intelligence in Pharmaceutical Sciences. Engineering, 2023. 61 Detail

7. Thian-Sze Wong, Guangzhi Li, Shiliang Li, Wei Gao, Geng Chen, Shiyi Gan, Manzhan Zhang, Honglin Li*, Song Wu*, Yang Du*. G protein-coupled receptors in neurodegenerative diseases and psychiatric disorders. Signal Transduction Targeted Ther., 2023. 8 : 177 Detail

8. Yunxia Wang, Zhen Chen, Ziqi Pan, Shijie Huang, Jin Liu, Weiqi Xia, Hongning Zhang, Mingyue Zheng, Honglin Li, Tingjun Hou, Feng Zhu*. RNAincoder: a deep learning-based encoder for RNA and RNA-associated interaction. Nucleic Acids Res., 2023. 51(W1) : W509–W519 Detail

9. Niubing Zhang, Xiang Cheng, Yilong Zhu, Ouyang Mo, Huiqing Yu, Liqi Zhu, Juan Zhang, Linlin Kuang, Ying Gao, Ruiyuan Cao, Xiaozhen Liang, Haikun Wang, Honglin Li, Song Li, Wu Zhong*, Xuan Li*, Xiao Li*, Pei Hao*. Multi-valent mRNA vaccines against monkeypox enveloped or mature viron surface antigens demonstrate robust immune response and neutralizing activity. Sci. China Life Sci., 2023. DOI: 10.1007/s11427-023-2378-x Detail

10. Ines Kralj-Hans, Kuo Li, Adrian Wesek, Alexia Lamorgese, Fatima Omar, Kapila Ranasinghe, Megan McGee, Kieran Brack, Shiliang Li, Ritesh Aggarwal, Ajay Bulle, Aparna Kodre, Shashank Sharma, David Fluck, Isaac John, Pankaj Sharma, Jonathan D Belsey, Ling Li, Sreenivasa Rao Kondapally Seshasai, Honglin Li, Nandor Marczin, Zhong Chen. Leflunomide treatment for patients hospitalised with COVID-19: DEFEAT-COVID randomised controlled trial. BMJ Open, 2023. 13 : e068179 Detail

11. Yanyan Diao, Dandan Liu, Huan Ge, Rongrong Zhang, Kexin Jiang, Runhui Bao, Xiaoqian Zhu, Hongjie Bi, Wenjie Liao, Ziqi Chen, Kai Zhang, Rui Wang, Lili Zhu, Zhenjiang Zhao, Qiaoyu Hu, Honglin Li*. Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery. Nat. Commun., 2023. 14 : 4552 Detail

12. Tingyuan Yang, Xiayu Shi, Shiliang Li, Zhenjiang Zhao, Junyi Wang, Panpan Yu, Honglin Li*, Rui Wang*, Zhuo Chen*. Targeting DHODH reveals therapeutic opportunities in ATRA-resistant acute promyelocytic leukemia. Biomed. Pharmacother., 2023. 166 : 115314 Detail

13. Xingyu Chen, Runyu Miao, Leihao Zhang, Zhen Yuan, Honglin Li, Shiliang Li∗. Chapter 38 - Computational methods for scaffold hopping. Privileged Scaffolds in Drug Discovery, 2023. 931-948 Detail

14. Wenyi Mei, Lijuan Xie, Xiaodong Zhang, Cunjian Shi, Fengzhi Wang, Qiqi Fu, Zhenjiang Zhao, Honglin Li*, Yufang Xu*, Zhuo Chen*. Design, synthesis and biological evaluation of fluorescent derivatives of ursolic acid in living cells. Chin. Chem. Lett., 2023. 108825 Detail

15. Hongxia Li*, Xiyang Wang, Du Qiao, Jiahao Li, Weiping Zhu, Honglin Li. Mechanism of nanoparticle aggregation in gas-liquid microfluidic mixing. Chin. Chem. Lett., 2023. 108747 Detail

16. Du Qiao, Hongxia Li*, Weiping Zhu, Lili Zhu, Danyang Zhao, Honglin Li. Microfluidic separation of particles by synergistic effect of geometry-induced hydrodynamics and magnetic field. Chin. Chem. Lett., 2023. 108646 Detail

17. Yunxia Wang, Ziqi Pan, Minjie Mou, Weiqi Xia, Hongning Zhang, Hanyu Zhang, Jin Liu, Lingyan Zheng, Yongchao Luo, Hanqi Zheng, Xinyuan Yu, Xichen Lian, Zhenyu Zeng, Zhaorong Li, Bing Zhang, Mingyue Zheng, Honglin Li, Tingjun Hou, Feng Zhu*. A task-specific encoding algorithm for RNAs and RNA-associated interactions based on convolutional autoencoder. Nucleic Acids Res., 2023. 51(21) : e110 Detail

18. Lijuan He, Hongxia Du, Yi Yang, Zhihua Guan, Jinjin Li, Honglin Li, Xudong Lin*, Lili Zhu*. A lateral-immobilization zebrafish microfluidic chip-based system for in vivo real-time evaluation of antithrombotic agents. Chin. Chem. Lett., 2023. 109013 Detail

19. Xiangjun Yin, Min Li, Yongzhi Wang, Guifang Zhao, Tao Yang, Yuqing Zhang, Jianbo Guo, Tiantian Meng, Ruolin Du, Honglin Li*, Zhe Wang*, Jian Zhang*, Qingyong He*. Herbal medicine formula Huazhuo Tiaozhi granule ameliorates dyslipidaemia via regulating histone lactylation and miR-155-5p biogenesis. Clin. Epigenet., 2023. 15 : 175(2023) Detail

20. Qin Xie, Wei Ma, Jianhang Zhang, Shiliang Li, Xiaobing Deng*, Youjun Xu*, Weilin Zhang*. Exploration on learning molecular docking with deep learning models. Quant. Biol., 2023. 11(3) : 320–331 Detail

21. Fang Bai, Shiliang Li, Honglin Li*. AI Enhances Drug Discovery and Development. Natl. Sci. Rev., 2023. 11(3) : nwad303 Detail

22. Jiayi Yin, Hanyu Zhang, Xiuna Sun, Nanxin You, Minjie Mou, Mingkun Lu, Ziqi Pan, Fengcheng Li, Honglin Li*, Su Zeng*, Feng Zhu*. Decoding Drug Response with Structurized Gridding Map-based Cell Representation. IEEE J. Biomed. Health Inform., 2023. DOI: 10.1109/JBHI.2023.3342280 Detail

23. Yudong Liu, Shaojie Liu, Runyu Miao, Liang Sun, Zhizhong Zhang, Fan Chen, Jinlong Zhang, Shiliang Li*, Baozhu Tian*. Insight into the relationship between the photostability and molecular structure of rhodamine dyes. Tetrahedron, 2023. 149 : 133664 Detail

1. Mingyang Wang, Zhe Wang, Huiyong Sun, Jike Wang, Chao Shen, Gaoqi Weng, Xin Chai, Honglin Li*, Dongsheng Cao*, Tingjun Hou*. Deep learning approaches for de novo drug design: An overview. Curr. Opin. Struct. Biol., 2022. 72 : 135-144 Detail

2. Pengxuan Ren, Weijuan Shang, Wanchao Yin, Huan Ge, Lin Wang, Xianglei Zhang, Bingqian Li, Honglin Li, Yechun Xu, Eric H Xu, Hualiang Jiang, Lili Zhu*, Leike Zhang*, Fang Bai*. A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors. Acta Pharmacol. Sin., 2022. 43 : 483-493 Detail

3. Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li*, Dongsheng Cao*, Tingjun Hou*. Comprehensive assessment of deep generative architectures for de novo drug design. Briefings Bioinf., 2022. 23(1) : bbab544 Detail

4. Minghui Tang, Xin Duan, Anqi Yang, Shijie He, Yajing Zhou, Yuxin Liu, Lu Zhang, Xuan Luo, Peng Shi*, Honglin Li*, Xudong Lin*. Fish Capsules: A System for High-Throughput Screening of Combinatorial Drugs. Adv. Sci., 2022. 9(9) : 2104449 Detail

5. Dou Dou, Yanyan Diao, Wenjie Sha, Rongrong Su, Linjiang Tong, Wenjie Li, Limin Leng, Lijuan Xie, Zhixiao Yu, Haoming Song, Zihao Shen, Lili Zhu, Zhenjiang Zhao, Hua Xie, Zhuo Chen*, Honglin Li*, Yufang Xu*. Discovery of Pteridine-7(8H)-one Derivatives as Potent and Selective Inhibitors of Bruton’s Tyrosine Kinase (BTK). J. Med. Chem., 2022. 65(3) : 2694–2709 Detail

6. Weiqi Xia, Lingyan Zheng, Jiebin Fang, Fengcheng Li, Ying Zhou, Zhenyu Zeng, Bing Zhang, Zhaorong Li, Honglin Li*, Feng Zhu*. PFmulDL: a novel strategy enabling multi-class and multi-label protein function annotation by integrating diverse deep learning methods. Comput. Biol. Med., 2022. 145 : 105465 Detail

7. Rongrong Su, Yanyan Diao, Wenjie Sha, Dou Dou, Zhixiao Yu, Limin Leng, Zhenjiang Zhao, Zhuo Chen, Honglin Li*, Yufang Xu*. Discovery of pyrrolo[1,2-a]quinoxalin-4(5H)-one Derivatives as Novel Non-covalent Bruton’s Tyrosine Kinase (BTK) inhibitors. Bioorg. Chem., 2022. 126 : 105860 Detail

8. Mingyang Wang, ChangYu Hsieh, Jike Wang, Dong Wang, Gaoqi Weng, Chao Shen, Xiaojun Yao, Zhitong Bing, Honglin Li*, Dongsheng Cao*, Tingjun Hou*. RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design. J. Med. Chem., 2022. 65(13) : 9478–9492 Detail

9. Zhanpeng Xu, Jianhua Li*, Zhaopeng Yang, Shiliang Li, Honglin Li. SwinOCSR: end-to-end optical chemical structure recognition using a Swin Transformer. J. Cheminf., 2022. 14 : 41 Detail

10. Qian Jiao, Fangdi Zou, Shiliang Li, Jiawen Wang, Yunping Xiao, Zhihua Guan, Liang Dong, Jinwei Tian, Shengqing Li, Rui Wang, Jian Zhang, Honglin Li. Dexlansoprazole prevents pulmonary artery hypertension by inhibiting pulmonary artery smooth muscle cell to fibroblast transition. Am. J. Transl. Res., 2022. 14(8) : 5466-5479 Detail

11. Huan He, Qi Liu, Lu Chen, Jie Wang, Yuan Yuan, Honglin Li, Xuhong Qian, Zhenjiang Zhao*, Zhuo Chen*. Design, synthesis and biological evaluation of pteridine-7(8H)-one derivatives as potent and selective CDK4/6 inhibitors. Bioorg. Med. Chem. Lett., 2022. 76 : 128991 Detail

12. Huan He, Mengting Xie, Mengting Zhang, Haiqin Zhang, Huan Zhu, Yuxian Fang, Zihao Shen, Rui Wang, Zhenjiang Zhao, Lili Zhu, Xuhong Qian, Honglin Li. Design, synthesis and biological evaluation of potent and selective S1PR1 agonists for the treatment of Ulcerative Colitis. Chin. J. Chem., 2022. 22(40) : 2625-2632 Detail

13. Hanyu Zhang, Yunxia Wang, Ziqi Pan, Xiuna Sun, Minjie Mou, Bing Zhang, Zhaorong Li, Honglin Li*, Feng Zhu*. ncRNAInter: a novel strategy based on graph neural network to discover interactions between lncRNA and miRNA. Briefings Bioinf., 2022. 23(6) : bbac411 Detail

14. Jie Wang, Zihao Shen, Yichen Liao, Zhen Yuan, Shiliang Li, Gaoqi He, Man Lan, Xuhong Qian, Kai Zhang*, Honglin Li*. Multi-modal chemical information reconstruction from images and texts for exploring the near-drug space. Briefings Bioinf., 2022. 23(6) : bbac461 Detail

15. Xiaoyuan Li, Yuexiang Li, Shiyong Fan, Ruiyuan Cao, Xiaojia Li, Xiaomeng He, Wei Li, Longfa Xu, Tong Cheng, Honglin Li, Wu Zhong*. Discovery and Optimization of Quinoline Analogues as Novel Potent Antivirals against Enterovirus D68. J. Med. Chem., 2022. 65(21) : 14792–14808 Detail

16. Dou Dou, Jie Wang, Yunjin Qiao, Gulinuer Wumaier, Wenjie Sha, Wenjie Li, Wenyi Mei, Tingyuan Yang, Chen Zhang, Huan He, Caolin Wang, Linna Chu, Baihui Sun, Rongrong Su, Xiangyu Ma, Mengdie Gong, Lijuan Xie, Wenzhe Jiang, Yanyan Diao, Lili Zhu, Zhenjiang Zhao, Zhuo Chen*, Yufang Xu*, Shengqing Li*, HonglinLi*. Discovery and optimization of 4-anilinoquinazoline derivatives spanning ATP binding site and allosteric site as effective EGFR-C797S inhibitors. Eur. J. Med. Chem., 2022. 244 : 114856 Detail

17. Dandan Liu, Huan Ge, Fangling Xu, Yufang Xu, Wenjun Liu, Honglin Li, Lili Zhu*, Yanyan Diao*, Zhenjiang Zhao*. Design, synthesis and SAR study of 2-aminopyridine derivatives as potent and selective JAK2 inhibitors. Chin. Chem. Lett., 2022. 33(6) : 2969-2974 Detail

18. Yucheng Zheng, Shiliang Li, Kun Song, Jiajie Ye Wenkang Li, Yifan Zhong, Ziyan Feng, Simeng Liang, Zeng Cai, Ke Xu*. A Broad Antiviral Strategy: Inhibitors of Human DHODH Pave the Way for Host-Targeting Antivirals against Emerging and Re-Emerging Viruses. Viruses, 2022. 14(5) : 928 Detail

19. Huan Ge, Caolin Wang, Chaoquan Tian, Yanyan Diao, Wanqi Wang, Xiangyu Ma, Jian Zhang, Honglin Li, Zhenjiang Zhao, Lili Zhu*. Efficacy of WWQ-131, a highly selective JAK2 inhibitor, in mouse models of myeloproliferative neoplasms. Biomed. Pharmacother., 2022. 156 : 113884 Detail

20. Mingyang Wang, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Honglin Li*, Chang-Yu Hsieh*, Tingjun Hou*. ReMODE: a deep learning-based web server for target-specific drug design. J. Cheminf., 2022. 14 : 84 Detail

21. Dou Dou, Wenjie Sha, Yanyan Diao, Rongrong Su, Yunjin Qiao, Zhixiao Yu, Zhenjiang Zhao, Honglin Li*, Zhuo Chen*, Yufang Xu*. Discovery of pyrido[3,4-b]indol-1-one derivatives as novel non-covalent Bruton’s tyrosine kinase (BTK) inhibitors. Bioorg. Chem., 2022. 119 : 105541 Detail

22. Shun Liu, Jianchao Zhou, Ziyan Feng, Jiawen Zhang, Shuang Li, Zilong Jin, Chenfei Zhang, Shiliang Li, Gaoqi He, Honglin Li. VRPharmer: Bringing Virtual Reality into Pharmacophore-based Virtual Screening with Interactive Exploration and Realistic Visualization. Bioinformatics, 2022. 38(21) : 4953-4955 Detail

23. Ziyan Feng, Zihao Shen, Honglin Li, Shiliang Li*. e-TSN: an interactive visual exploration platform for target–disease knowledge mapping from literature. Briefings Bioinf., 2022. 23(6) : bbac465 Detail

24. Mengdie Gong, Mingyan Tu , Hongxia Sun, Lu Li, Lili Zhu, Honglin Li, Zhenjiang Zhao*, Shiliang Li*. Design, Synthesis, and Structure–Activity Relationship Study of Potent MAPK11 Inhibitors. Molecules, 2022. 27(1) : 203 Detail

1. Tong Zhao, Jie Wang, Yidi Chen, Shan Wang, Jian Lu, Jianlu Lv, Shiliang Li, Jiaying Wang, Minyi Qian*, Honglin Li*, Xu Shen*. Antiallergic drug Mebhydrolin ameliorates glucose homeostasis in type 2 diabetic mice by functioning as a selective FXR antagonist. Metabolism, 2021. 119 : 154771 Detail

2. Fanxun Zeng, Shiliang Li, Guantian Yang, Yating Luo, Tiantian Qi, Yingfan Liang, Tingyuan Yang, Letian Zhang, Rui Wang*, Lili Zhu*, Honglin Li*, Xiaoyong Xu*. Design, synthesis, molecular modeling, and biological evaluation of acrylamide derivatives as potent inhibitors of human dihydroorotate dehydrogenase for the treatment of rheumatoid arthritis. Acta Pharm. Sin. B, 2021. 3(11) : 795-809 Detail

3. Yu Mao, Yao Xing, Jie Li, Dong Dong, Shoude Zhang, Zhenjiang Zhao, Jingli Xie, Rui Wang*, Honglin Li*. Guanosine ameliorates positive symptoms of schizophrenia via modulating 5-HT 1A and 5-HT 2A receptors. Am. J. Transl. Res., 2021. 13(5) : 4040-4054 Detail

4. Shiliang Li, Chaoqian Cai, Jiayu Gong, Xiaofeng Liu, Honglin Li*. A fast protein binding site comparison algorithm for proteome-wide protein function prediction and drug repurposing. Proteins, 2021. 89(11) : 1541-1556 Detail

5. Na Luo, Xiaoyu Fang, Mingbo Su, Xinwen Zhang, Dan Li, Honglin Li, Shiliang Li,* Zhenjiang Zhao*. Design, Synthesis and SAR Studies of Novel and Potent Dipeptidyl Peptidase 4 Inhibitors. Chin. J. Chem., 2021. 39 : 115-120 Detail

6. Zihao Shen, Yu-Hang Yan, ShuoYang, Sang Zhu, Yuan Yuan, Zhiqiang Qiu, HuanJia, Ruiqiong Wang, Guo-Bo Li*, Honglin Li*. ProfKin: A comprehensive web server for structure-based kinase profiling. Eur. J. Med. Chem., 2021. 225 : 113772 Detail

7. Yuxia Mao, Shiliang Li, Bojie Gong, Luhua Lai*, Gaoqi He*, Honglin Li*. ePharmer: An integrated and graphical software for pharmacophore-based virtual screening. J. Comput. Chem., 2021. 42(30) : 2131-2135 Detail

8. Yuan Yuan, Junpeng Xu, Lei Jiang, Kangjie Yu, Yuanyuan Ge, Mingyang Li, Huan He, Qiqi Niu, Xiayu Shi, Linni Fan, Zhuo Chen, Zhenjiang Zhao, Shiliang Li*, Yufang Xu*, Zhe Wang*, Honglin Li*. Discovery, Optimization, and Structure–Activity Relationship Study of Novel and Potent RSK4 Inhibitors as Promising Agents for the Treatment of Esophageal Squamous Cell Carcinoma. J. Med. Chem., 2021. 64(18) : 13572–13587 Detail

9. Che Qiu, Zhen Yuan, Zhiyan He, Huiwen Chen, Yue Liao, Shiliang Li*, Wei Zhou*, Zhongchen Song*. Lipopolysaccharide Preparation Derived From Porphyromonas gingivalis Induces a Weaker Immuno-Inflammatory Response in BV-2 Microglial Cells Than Escherichia coli by Differentially Activating TLR2/4-Mediated NF-kB/STAT3 Signaling Pathways. Front. Cell. Infect. Microbiol., 2021. 11 : 606986 Detail

1. Mengzhen Lai, Peiran Song, Dou Dou, Yanyan Diao, Linjiang Tong, Tao Zhang, Hua Xie*, Honglin Li*, Jian Ding*. Discovery and biological evaluation of N-(3-(7-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-4-methyl-2-oxo-2H-pyrimido[4,5-d][1,3]oxazin-1(4H)-yl)phenyl)acrylamide as potent Bruton’s tyrosine kinase inhibitors. Acta Pharmacol. Sin., 2020. 41 : 415–422 Detail

2. Lili Zhu, Lei Shan, Junsheng Zhu, Li Li, Shiliang Li, Liyan Wang, Jiawei Wang, Shoude Zhang, Hongchang Zhou, Weidong Zhang*, Honglin Li*. Discovery of a natural fluorescent probe targeting the Plasmodium falciparum cysteine protease falcipain-2. Sci. China Life Sci., 2020. 63(7) : 1016-1025 Detail

3. Mingyang Li, Linni Fan, Donghui Han, Zhou Yu, Jing Ma, Yixiong Liu, Peifeng Li, Danhui Zhao, Jia Chai, Lei Jiang, Shiliang Li, Juanjuan Xiao, Qiuhong Duan, Jing Ye, Mei Shi, Yongzhan Nie, Kai-Chun Wu, Dezhong Joshua Liao, Yu Shi, Yan Wang, Qingguo Yan, Shuangping Guo, Xiu-Wu Bian, Feng Zhu, Jian Zhang, Zhe Wang. Ribosomal S6 protein kinase 4 promotes radioresistance in esophageal squamous cell carcinoma. Journal of Clinical Investigation, 2020. 130(8) : 4301–4319 Detail

4. Yating Luo, Yingfan Liang, Huan He, Mengting Zhang, Rui Wang, Honglin Li. The immunosuppressant fingolimod ameliorates experimental autoimmune myasthenia gravis by regulating T-cell balance and cytokine secretion. Am. J Transl. Res., 2020. 12(6) : 2600-2613 Detail

5. Ke Hu, Mengmei Wang, Yang Zhao, Yunting Zhang, Tao Wang, Zhishui Zheng, Xiaochen Li, Shaolin Zeng, Dong Zhao, Honglin Li, Ke Xu, Ke Lan. A Small-Scale Medication of Leflunomide as a Treatment of COVID-19 in an Open-Label Blank-Controlled Clinical Trial. Virol Sin., 2020. 35 : 725-733 Detail

6. Rui Xiong, Leike Zhang, Shiliang Li, Yuan Sun, Minyi Ding, Yong Wang, Yongliang Zhao, Yan Wu, Weijuan Shang, Xiaming Jiang, Jiwei Shan, Zihao Shen, Yi Tong, Liuxin Xu, Yu Chen, Yingle Liu, Gang Zou, Dimitri Lavillete, Zhenjiang Zhao, Rui Wang, Lili Zhu, Gengfu Xiao, Ke Lan, Honglin Li*, Ke Xu*. Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein & Cell, 2020. 11 : 723–739 Detail

7. Disha Wang, Wenjun Liu, Zihao Shen, Lei Jiang, Jie Wang, Shiliang Li*, Honglin Li*. Deep Learning Based Drug Metabolites Prediction. Front. Pharmacol., 2020. 10 : 1586 Detail

8. Zhicheng Su, Tingyuan Yang, Jie Wang, Mengzhen Lai, Linjiang Tong, Gulinuer Wumaier, Zhuo Chen*, Shengqing Li, Honglin Li, Hua Xie*, Zhenjiang Zhao*. Design, synthesis and biological evaluation of potent EGFR kinase inhibitors against 19D/T790M/C797S mutation. Bioorg. Med. Chem. Lett., 2020. 30(16) : 127327 Detail

9. Qingxia Yang, Yunxia Wang, Ying Zhang, Fengcheng Li, Weiqi Xia, Ying Zhou, Yunqing Qiu, Honglin Li, Feng Zhu*. NOREVA: enhanced normalization and evaluation of time-course and multi-class metabolomic data. Nucleic Acids Res., 2020. 48(W1) : W436–W448 Detail

10. Zhiyan He, Xu Zhang, Zhongchen Song, Lu Li, Haishuang Chang, Shiliang Li*, Wei Zhou*. Quercetin inhibits virulence properties of Porphyromas gingivalis in periodontal disease. Sci. Rep., 2020. 10 : 18313 Detail

11. Zhidong Li, Qing Fu, Shiliang Li*, Yu Jin*, Xinmiao Liang. Systematic evaluation and optimization of high-performance liquid chromatography separation of polyoxins. J. Sep. Sci., 2020. 43(15) : 3006-3016 Detail

12. Xiangyu Ma, Yanyan Diao, Huan Ge, Fangling Xu, Lili Zhu*, Zhenjiang Zhao*, Honglin Li*. Discovery and optimization of 2-aminopyridine derivatives as novel and selective JAK2 inhibitors. Bioorg. Med. Chem. Lett., 2020. 30 (8) : 127048 Detail

13. Chen, Y., Xie, J.*, Sun, J., Zhou, Z., Zhang, R., Li, H., Wei, D.. Comparative genomic analysis and proteolytic properties of Lactobacillus curieae CCTCC M2011381. Int. Food Res. J., 2020. 27(5) : 883-892 Detail

1. Wen Yang, Xia Wang, Kenan Li, Yuanru Liu, Ying Liu*, Rui Wang*, Honglin Li*. Pharmacodynamics simulation of HOEC by a computational model of arachidonic acid metabolic network. Quant. Biol., 2019. 7(1) : 30-41 Detail

2. Gaoqi He, Yiping Song, Wenhao Wei, Xia Wang, Xingjian Lu*, Honglin Li*. eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity. J. Comput. Chem., 2019. 40 : 826-838 Detail

3. Jie Wang, Shiliang Li, Honglin Li*. Drug design of "undruggable" targets. Chin. J. Chem., 2019. 37 : 501-512 Detail

4. Shiliang Li, Chun Qin, Shichao Cui, Hongling Xu, Fangshu Wu, Jiawei Wang, Mingbo Su, Xiaoyu Fang, Dan Li, Qian Jiao, Ming Zhang, Chunmei Xia, Lili Zhu, Rui Wang, Jia Li, Hualiang Jiang, Zhenjiang Zhao, Jing-Ya Li, Honglin Li. Discovery of a Natural-Product-Derived Preclinical Candidate for Once-Weekly Treatment of Type 2 Diabetes. J. Med. Chem., 2019. 62(5) : 2348-2361 Detail

5. Xiao Luo, Liujia Qian, Yansheng Xiao, Yao Tang, Yang Zhao, Xia Wang, Luyan Gu, Zuhai Lei, Jianming Bao, Jiahui Wu, Tingting He, Fupin Hu, Jing Zheng, Honglin Li, Weiping Zhu, Lei Shao, Xiaojing Dong, Daijie Chen*, Xuhong Qian*, Youjun Yang*. A diversity-oriented rhodamine library for wide-spectrum bactericidal agents with low inducible resistance against resistant pathogens. Nat. Commun., 2019. 10(1) : 258 Detail

6. Wanqi Wang, Yanyan Diao, Wenjie Li, Yating Luo, Tingyuan Yang, Yuyu Zhao, Tiantian Qi, Fangling Xu, Xiangyu Ma, Huan Ge, Yingfan Liang, Zhenjiang Zhao, Xin Liang, Rui Wang, Lili Zhu*, Honglin Li*, Yufang Xu*. Design, synthesis and structure-activity relationship study of aminopyridine derivatives as novel inhibitors of Janus Kinase 2. Bioorg. Med. Chem. Lett., 2019. 29 : 1507-1513 Detail

7. Simin Zhao, Yanan Jiang, Tongde Tian, Jimin Zhao, Yifei Xie, Xinhuan Chen, Jing Lu, Feng Yang, Honglin Li*, Kangdong Liu*, Ziming Dong*. Jie Du Tong Ye San Prevents N-Nitrosomethylbenzylamine-Induced Esophageal Carcinogenesis via Inhibition of Inflammation and Proliferation. Evidence-Based Complementary Altern. Med., 2019. 2019 : 5752670 Detail

8. Yanyan Diao, Xiaoyu Fang, Peiran Song, Mengzhen Lai, Linjiang Tong, Yongjia Hao, Dou Dou, Yingqiang Liu, Jian Ding, Zhenjiang Zhao*, Hua Xie*, Honglin Li*. Discovery and Biological Evaluation of Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione Derivatives as Potent Bruton's Tyrosine Kinase Inhibitors. Bioorg. Med. Chem., 2019. 27(15) : 3390-3395 Detail

9. Qiannan Li, Tao Zhang, Shiliang Li, Linjiang Tong, Junyu Li, Zhicheng Su, Fang Feng, Deheng Sun, Yi Tong, XiaWang, Zhenjiang Zhao, Lili Zhu, Jian Ding, Honglin Li, Hua Xie, Yufang Xu. Discovery of potent and non-covalent reversible EGFR kinase inhibitors of EGFR L858R/T790M/C797S. ACS Med. Chem. Lett., 2019. 10(6) : 869-873 Detail

10. Yanling Wang, Huan Ge, Disha Wang, Huan He, Lu Li, Yanyan Diao, Zihao Shen, Lili Zhu, Shiliang Li, Zhenjiang Zhao*, Honglin Li*. Design and synthesis of a series of novel macrocycle Janus kinase 2 inhibitors. Chin. J. Chem., 2019. 37 : 1259-1263 Detail

11. Fanxun Zeng, Lina Quan, Guantian Yang, Tiantian Qi, Letian Zhang, Shiliang Li, Honglin Li, Lili Zhu*, Xiaoyong Xu*. Structural Optimization and Structure–Activity Relationship of 4-Thiazolidinone Derivatives as Novel Inhibitors of Human Dihydroorotate Dehydrogenase. Molecules, 2019. 24(15) : 2780 Detail

1. Fang Bai, Kangdong Liu, Huiliang Li, Jiawei Wang, Junsheng Zhu, Pei Hao, Lili Zhu, Shoude Zhang, Lei Shan, Weiya Ma Ann M. Bode, Weidong Zhang*, Honglin Li*, Zigang Dong*. Veratramine modulates AP-1-dependent gene transcription by directly binding to programmable DNA. Nucleic Acids Res., 2018. 46(2) : 546-557 Detail

2. Lei Zhang, Tingting Wei, Yong Li, Jing Li, Yong Fan, Fengqing Huang, Yuanyuan Cai, Gaoxiang Ma, Jinfeng Liu, Qianqian Chen, Shilei Wang, Honglin Li, Raphael N. Alolga, Baolin Liu, Dongsheng Zhao, Jianhua Shen, Xiangming Wang, Wei Zhu, Ping Li, Lianwen Qi. Functional Metabolomics Characterizes a Key Role for N-Acetyl-Neuraminic Acid in Coronary Artery Diseases. Circulation, 2018. 137(13) : 1374-1390 Detail

3. Ertong Li, Yafeng Wang, Wenquan Yu, Zhigang Lv, Youmei Peng, Bingjie Liu, Shiliang Li, Wenzhe Ho, Qingduan Wang, Honglin Li, Junbiao Chang*. Synthesis and biological evaluation of a novel β-D-2′-deoxy-2′-α-fluoro-2′-β-C-(fluoromethyl)uridine phosphoramidate prodrug for the treatment of hepatitis C virus infection. Eur. J. Med. Chem., 2018. 46(2) : 546-557 Detail

4. Shuping Zheng; Ying Zhou; Joy Fleming; Yafeng Zhou; Mengting Zhang; Shiliang Li; Honglin Li; Bingqi Sun; Wei Liu; Lijun Bi. Structural and genetic analysis of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis. FEBS letters, 2018. 592(8) : 1445-1457 Detail

5. Haiyang Chen, Peiran Song, YanYan Diao, Yongjia Hao, Dou Dou, Wanqi Wang, Xiaoyu Fang, Yanling Wang, Zhenjiang Zhao, Jian Ding, Honglin Li*, Hua Xie*; Yufang Xu*. Discovery and Biological Evaluation of N5-substituted 6,7-Dioxo-6,7-dihydropteridine derivatives as Potent Bruton's Tyrosine Kinase Inhibitors. Med. Chem. Commun., 2018. 9 : 697-704 Detail

6. Junbo Gao, Xingjie Zhang, Ruihan Zhang, Lili Zhu, Debing Pu, Xiaoli Li, Honglin Li, Min Xu*, Weilie Xiao*. In Vitro Human Dihydroorotate Dehydrogenase Inhibitory, Anti-inflammatory and Cytotoxic Activities of Alkaloids from the Seeds of Nigella glandulifera. Planta Med., 2018. 84(14) : 1013-1021 Detail

7. Yanyan Diao, Jing Jiang, Shoude Zhang, Shiliang Li, Lei Shan, Jin Huang, Weidong Zhang, Honglin Li*. Discovery of Natural Products as Novel and Potent FXR Antagonists by Virtual Screening. Front. Chem., 2018. 6 : 140 Detail

8. Le Xu, Wenjie Li, Yanyan Diao, Hongxia Sun, Honglin Li, Lili Zhu*, Hongchang Zhou*, Zhenjiang Zhao*. Synthesis, Design, and Structure–Activity Relationship of the Pyrimidone Derivatives as Novel Selective Inhibitors of Plasmodium falciparum Dihydroorotate Dehydrogenase. Molecules, 2018. 23(6) : 1254 Detail

9. Yongjia Hao, Jiankun Lyu, Rong Qu, Yi Tong, Deheng Sun, Fang Feng, Linjiang Tong, Tingyuan Yang, Zhenjiang Zhao, Lili Zhu, Jian Ding, Yufang Xu*, Hua Xie*, Honglin Li*. Design, Synthesis, and Biological Evaluation of Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-diones as Potent and Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors against L858R/T790M Resistance Mutation. J. Med. Chem., 2018. 61(13) : 5609-5622 Detail

10. Simin Zhao, Yanan Jiang, Jimin Zhao, Honglin Li, Xueshan Yin, Yanhong Wang, Yifei Xie, Xinhuan Chen, Jing Lu, Ziming Dong*, Kangdong Liu*. Quercetin‐3‐methyl ether inhibits esophageal carcinogenesis by targeting the AKT/mTOR/p70S6K and MAPK pathways. Mol. Carcinog., 2018. 57(11) : 1540-1552 Detail

11. Wei Xiao, Disha Wang, Zihao Shen, Shiliang Li,Honglin Li*. Multi-Body Interactions in Molecular Docking Program Devised with Key Water Molecules in Protein Binding Sites. Molecules, 2018. 23(9) : 2321-2342 Detail

12. Wen Yang, Xia Wang, Liuxin Xu, Honglin Li, Rui Wang. LOX inhibitor HOEC interfered arachidonic acid metabolic flux in collagen-induced arthritis rats. Am. J. Transl. Res., 2018. 10(8) : 2542-2554 Detail

13. Gaoqi He, Bojie Gong, Jianqiang Li, Yiping Song, Shiliang Li*, Xingjian Lu*. An Improved Receptor-Based Pharmacophore Generation Algorithm Guided by Atomic Chemical Characteristics and Hybridization Types. Front. Pharmacol., 2018. 9 : 1463 Detail

14. Yi Tong, Qian Jiao, Yuanru Liu, Jiankun Lv, Rui Wang*, Lili Zhu*. Maprotiline Prevents Monocrotaline-Induced Pulmonary Arterial Hypertension in Rats. Front. Pharmacol., 2018. 9 : 1032 Detail

15. Li Liu, Wanqi Wang, Jin Huang, Zhenjiang Zhao, Honglin Li*, Yufang Xu*. Novel benzoyl thioureido benzene sulfonamides as highly potent and selective inhibitors of carbonic anhydrase IX: optimization and bioactive studies. Med. Chem. Commun., 2018. 9 : 2100-2105 Detail

16. Zhuo Chen, Linjiang Tong, Baiyou Tang, Hongyan Liu, Xin Wang, Tao Zhang, Xianwen Cao, Yi Chen, Honglin Li, Xuhong Qian, Yufang Xu*, Hua Xie*, Jian Ding*. C11, a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor, suppresses breast cancer metastasis and angiogenesis. Acta Pharmacol. Sin., 2018. 40 : 823-832 Detail

17. Guixiang Yang, Songlan Ge, Yan Wu, Jin Huang, Shiliang Li*, Rui Wang*, Lei Ma*. Design, synthesis and biological evaluation of 3-piperazinecarboxylate sarsasapogenin derivatives as potential multifunctional anti-alzheimer agents. Eur. J. Med. Chem., 2018. 156 : 206-215 Detail

1. Xiuqin Hu, Disha Wang, Yi Tong, Linjiang Tong, Xia Wang, Lili Zhu, Hua Xie, Shiliang Li, You Yang* and Yufang Xu* . Design, Synthesis and Evaluation of Ribose-modified Anilinopyrimidine Derivatives as EGFR Tyrosine Kinase Inhibitors. Front. Chem., 2017. 5 : 101 Detail

2. Zhuo Chen, Honglin Li. Novel Drugs Targeting the Epigenome. Curr Pharmacol Rep, 2017. 3(5) : 268-285 Detail

3. Kang Chang, Jianqin Chen, Yanxia Shi, Meijian Sun, Pengfei Li, Zhenjiang Zhao, Weiping Zhu, Honglin Li, Yufang Xu*, Baoju Li*, Xuhong Qian*. The discovery of new scaffold of plant activators: From salicylic acid to benzotriazole. Chinese Chemical Letters, 2017. 28(4) : 919-926 Detail

4. Jiajia Meng, Shiliang Li, Xiaofeng Liu, Mingyue Zheng, Honglin Li*. RD-Metabolizer: an integrated and reaction types extensive approach to predict metabolic sites and metabolites of drug-like molecules. Chem. Cent. J., 2017. 11 : 65 Detail

5. Yongjia Hao, Jiankun Lyu, Rong Qu, Deheng Sun, Zhenjiang Zhao, Zhuo Chen, Jian Ding, Hua Xie*, Yufang Xu*, Honglin Li*. Structure-Guided Design of C4-alkyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-ones as Potent and Mutant-Selective Epidermal Growth Factor Receptor (EGFR) L858R/T790M Inhibitors. Sci. Rep., 2017. 7 : 3830 Detail

6. Wei xiao, Zenghui He, Meijian Sun, Shiliang Li, Honglin Li*. Statistical Analysis, Investigation and Prediction of the Water Positions in the Binding Sites of Proteins. J. Chem. Inf. Model., 2017. 57(7) : 1517-1528 Detail

7. Xia Wang, Yihang Shen, Shiwei Wang, Shiliang Li, Weilin Zhang, Xiaofeng Liu, Luhua Lai, Jianfeng Pei*, Honglin Li*. PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic Acids Res., 2017. 45 : W356-W360 Detail

8. Guozhen Wu, Lili Zhu, Xing Yuan, Hao chen, Rui Xiong, Shoude Zhang, Hao Cheng, Yunheng Shen, Huazhang An, Tiejun Li, Honglin Li*, Weidong Zhang*. Britanin ameliorates cerebral ischemia–reperfusion injury by inducing the Nrf2 protective pathway. Antioxid. Redox Signal., 2017. 27(11) : 754-768 Detail

9. Fangshu Wu, Junsheng Zhu, Honglin Li*, Lili Zhu*. Structural analysis of recombinant human ubiquitin-conjugating enzyme UbcH5c. Acta Pharm. Sin. B, 2017. 7 : 390-394 Detail

10. Fanxun Zeng, Tiantian Qi, Chunyan Li, Tingfang Li, Honglin Li, Shiliang Li*, Lili Zhu*, Xiaoyong Xu*. Synthesis, structure–activity relationship and binding mode analysis of 4-thiazolidinone derivatives as novel inhibitors of human dihydroorotate dehydrogenase. Med. Chem. Commun., 2017. 8 : 1297-1302 Detail

11. Chao Lv, Xueting Wu, Xia Wang, Juan Su, Huawu Zeng, Jing Zhao, Shan Lin, Runhui Liu, Honglin Li*, Xuan Li*, Weidong Zhang*. The gene expression profiles in response to 102 traditional Chinese medicine (TCM) components: a general template for research on TCMs. Sci. Rep., 2017. 7 : 352 Detail

1. Yan Qiao, Bin Chen, Yangyang Yang, Xin Wang, Yufang Xu*, Honglin Li*. Rational Design of a Highly Selective Fluorescent Sensor for L-Histidine Detection in Aqueous Solution. Dalton Trans., 2016. 45 : 1310-1314 Detail

2. Wei Zhou, Shiliang Li, Weiqiang Lu, Jun Yuan, Yufang Xu, Honglin Li*, Jin Huang*, Zhenjiang Zhao*. Isoindole-1,3-dione Derivatives as RSK2 Inhibitors: Synthesis, Molecular Docking Simulation and SAR Analysis. Med. Chem. Commun., 2016. 7 : 292-296 Detail

3. Shiliang Li, Xiaojuan Yu, Chuanxin Zou, Jiayu Gong, Xiaofeng Liu*, Honglin Li*. Are Topological Properties of Drug Targets Based on Protein-Protein Interaction Network Ready to Predict Potential Drug Targets? . Comb. Chem. High Throughput Screen., 2016. 2 : 109-120 Detail

4. Shiliang Li, Yuwei Song, Xiaofeng Liu*, Honglin Li*. A Rapid Python-Based Methodology for Target-Focused Combinatorial Library Design. Comb. Chem. High Throughput Screen., 2016. 1 : 25-35 Detail

5. Jiawei Wang, Yanyan Diao, Junsheng Zhu, Shiliang Li, Zhenjiang Zhao, Honglin Li*, Lili Zhu*. Biological evaluation of quinoline derivatives as inhibitors of human dihydroorotate dehydrogenase. Med. Chem. Commun., 2016. 7 : 853-858 Detail

6. Zhonghua Gao, Yiming Shi, Zhe Qiang, Xia Wang, Shanzhai Shang, Yan Yang, Baowen Du, Huipan Peng, Xu Ji, Honglin Li*, Fei Wang*, Weilie Xiao*. Plasiatine, an Unprecedented Indole–Phenylpropanoid Hybrid from Plantago asiatica as a Potent Activator of the Nonreceptor Protein Tyrosine Phosphatase Shp2. Sci. Rep., 2016. 6 : 24945 Detail

7. Xia Wang, Chenxu Pan, Jiayu Gong, Xiaofeng Liu*, Honglin Li*. Enhancing the Enrichment of Pharmacophore-Based Target Prediction for the Polypharmacological Profiles of Drugs. J. Chem. Inf. Model., 2016. 56 : 1175-1183 Detail

8. Meijian Sun, Xia Wang, Chuanxin Zou, Zenghui He, Wei Liu, Honglin Li*. Accurate prediction of RNA-binding protein residues with two discriminative structural descriptors. BMC Bioinformatics, 2016. 17 : 231 Detail

9. Wenlin Song, Shiliang Li, Yi Tong, Jiawei Wang, Lina Quan, Zhuo Chen, Zhenjiang Zhao, Yufang Xu, Lili Zhu*, Xuhong Qian*, Honglin Li*. Structure-based Design of Potent Human Dihydroorotate Dehydrogenase Inhibitors as Anticancer Agents. Med. Chem. Commun., 2016. 7 : 1441-1448 Detail

10. Deheng Sun, Yu Yang, Jiankun Lyu, Wei Zhou, Wenlin Song, Zhenjiang Zhao, Zhuo Chen*, Yufang Xu*, Honglin Li*. Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants. J. Med. Chem., 2016. 59 : 6187-6200 Detail

11. Kang Chang, Yanxia Shi, Jianqin Chen, Zenghui He, Zheng Xu, Zhenjiang Zhao, Weiping Zhu, Honglin Li, Yufang Xu*, Baoju Li*, Xuhong Qian*. The Discovery of New Plant Activators and Scaffolds with Potential Induced Systemic Resistance: From Jasmonic Acid to Pyrrolidone. Med. Chem. Commun., 2016. 7 : 1849-1857 Detail

12. Shiliang Li, Hongling Xu, Shichao Cui, Fangshu Wu, Youli Zhang, Ming-Bo Su, Yinghui Gong, Shaobing Qiu, Qian Jiao, Chun Qin, Jiwei Shan, Ming Zhang, Jiawei Wang, Qiao Yin, Minghao Xu, Xiaofeng Liu, Rui Wang, Lili Zhu, Jia Li, Yufang Xu, Hualiang Jiang, Zhenjiang Zhao*, Jing-Ya Li*, Honglin Li*. Discovery and Rational Design of Natural Product-Derived 2-phenyl-3,4-dihydro-2H-benzo[f]chromen-3-amine Analogs as Novel and Potent Dipeptidyl Peptidase-4 (DPP-4) Inhibitors for the Treatment of Type 2 Diabetes. J. Med. Chem., 2016. 59 : 6772-6790

13. Yongjia Hao, Xia Wang, Tao Zhang, Deheng Sun, Yi Tong, Yuqiong Xu, Haiyang Chen, Linjiang Tong, Lili Zhu, Zhenjiang Zhao, Zhuo Chen, Jian Ding, Hua Xie*, Yufang Xu*, Honglin Li*. Discovery and Structural Optimization of N5-Substituted 6,7-dioxo-6,7-dihydropteridines as Potent and Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors Against L858R/T790M Resistance Mutation. J. Med. Chem., 2016. 59 : 7111-7124

14. Yingying Liu, Yunrong Gao, Defeng Li, Joy Fleming, Honglin Li, Lijun Bi*. Crystal structure of Rv3899c^184–410, a hypothetical protein from Mycobacterium tuberculosis. Acta Crystallogr. F, Struct. Biol. Commun., 2016. 72 : 642-645 Detail

15. Qiao Li, Lina Quan, Jiankun Lyu, Zenghui He, Xia Wang, Jiajia Meng, Zhenjiang Zhao, Lili Zhu*, Xiaofeng Liu*, Honglin Li*. Discovery of peptide inhibitors targeting human programmed death 1 (PD-1) receptor. Oncotarget, 2016. 7 : 64967-64976 Detail

16. Diliang Guo, Jing Li, Henry Lin, Yu Zhou, Ying Chen, Fei Zhao, Haifeng Sun, Dan Zhang, Honglin Li, Brian K. Shoichet, Lei Shan, Weidong Zhang, Xin Xie*, Hualiang Jiang*, and Hong Liu*. Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as Selective α1A-Adrenoceptor Antagonists. J. Med. Chem., 2016. 59 : 9489-9502 Detail

17. Ruixuan Liu, Cui Huang, David A Bennett, Honglin Li, Rui Wang*. The characteristics of astrocyte on Aβ clearance altered in Alzheimer’s disease were reversed by anti-inflammatory agent (+)-2-(1-hydroxyl-4-oxocyclohexyl) ethyl caffeate. Am. J. Transl. Res, 2016. 8 : 4082-4094 Detail

1. Liuqing Yang, Wei Liu, Hanbing Mei, Yuan Zhang, Xiaojuan Yu, Yufang Xu, Honglin Li*, Jin Huang*, Zhenjiang Zhao*. Synthesis and biological evaluation of pentanedioic acid derivatives as farnesyltransferase inhibitors. Med. Chem. Commun., 2015. 6 : 671-676 Detail

2. Junsheng Zhu, Le Han, Yanyan Diao, Xiaoli Ren, Minghao Xu, Liuxin Xu, Shiliang li, Qiang Li, Dong Dong, Jin Huang, Xiaofeng Liu, Zhenjiang zhao, Rui Wang, Lili Zhu,* Yufang Xu, Xuhong Qian*, Honglin Li*. Design, Synthesis, X-ray Crystallographic Analysis, and Biological Evaluation of Thiazole-Derivatives as Potent and Selective Inhibitors of Human Dihydroorotate Dehydrogenase. J. Med. Chem., 2015. 58 : 1123-1139 Detail

3. Yingjia Song, Jianghui Liu, Defeng Li, Honglin Li, Shihua Wang, Dacheng Wang, Jie Zhou, Lijun Bi*. Purification, crystallization and preliminary X-ray crystallographic studies of Rv3899c from Mycobacterium tuberculosis. Acta Cryst., 2015. F71 : 107-109 Detail

4. Li Zhou, Ye Zhong, Meng-Zhu Xue, Dong Kuang, Xian-Wen Cao, Zhenjiang Zhao, Honglin Li, Yufang Xu*, Rui Wang*. Design, synthesis and evaluation of PPAR gamma binding activity of 2-thioxo-4-thiazolidinone derivatives. Chinese Chem. Lett., 2015. 26 : 63-68 Detail

5. Fang Bai, Sha Liao, Junfeng Gu, Hualiang Jiang, Xicheng Wang, Honglin Li*. An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy. J. Chem. Inf. Model., 2015. 55 : 833-847 Detail

6. Shaoying Tan, Deheng Sun, Jiankun Lyu, Xiao Sun, Fangshu Wu, Qiang Li, Yiqi Yang, Jianxu Liu, Xin Wang, Zhuo Chen*, Honglin Li*, Xuhong Qian,Yufang Xu*. Antiproliferative and apoptosis-inducing activities of novel naphthalimide–cyclam conjugates through dual topoisomerase (topo) I/II inhibition. Bioorg. Med. Chem., 2015. 23 : 5672-5680 Detail

7. Chengle Yin, Jinge Zhou, Yiqing Wu, Yue Cao, Tao Wu, Shoude Zhang, Honglin Li, Zhihong Cheng*. Pterocarpans and triterpenoids from Gueldenstaedtia verna. Fitoterapia, 2015. 106 : 46-54 Detail

8. Shiliang Li, Guoqin Luan, Xiaoli Ren, Wenlin Song, Liuxin Xu, Minghao Xu, Junsheng Zhu, Dong Dong, Yanyan Diao, Xiaofeng Liu, Lili Zhu, Rui Wang, Zhenjiang Zhao*, Yufang Xu*, Honglin Li*. Rational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity. Sci. Rep. , 2015. 5 : 14836 Detail

9. Shoude Zhang, Lei Shan, Wei Li, Honglin Li*, Weidong Zhang*. Isochamaejasmin induces apoptosis in leukemia cells through inhibiting Bcl-2 family proteins. Chin. J. Nat. Med., 2015. 13 : 660-666 Detail

10. Jiaoning Shen, Liuxin Xu, Lei Shan, Weidong Zhang, Honglin Li, Rui Wang. Neuroprotection of (+)-2-(1-Hydroxyl-4-Oxocyclohexyl) Ethyl Caffeate Against Hydrogen Peroxide and Lipopolysaccharide Induced Injury via Modulating Arachidonic Acid Network and p38-MAPK Signaling . Curr. Alzheimer Res., 2015. 12 : 892-902 Detail

11. Xinhui Tian, Rongcai Yue, Huawu Zeng, Honglin Li, Lei Shan, Weiwei He, Yunheng Shen*, Weidong Zhang*. Distinctive effect on nerve growth factor-induced PC12 cell neurite outgrowth by two unique neolignan enantiomers from Illicium merrillianum. Sci. Rep., 2015. 5 : 16982 Detail

1. Yanli Jin, Ke Ding, Honglin Li, Mengzhu Xue, Xiaoke Shi, Chengyan Wang, Jingxuan Pan*. Ponatinib efficiently kills imatinib-resistant chronic eosinophilic leukemia cells harboring gatekeeper mutant T674I FIP1L1-PDGFRalpha: roles of Mcl-1 and beta-catenin. Mol. Cancer, 2014. 13 : 17 Detail

2. Liyan Wang, Shoude Zhang, Junsheng Zhu, Lili Zhu, Xiaofeng Liu, Lei Shan, Jin Huang*, Weidong Zhang*, Honglin Li*. Identification of Diverse Natural Products as Falcipain-2 Inhibitors through Structure-based Virtual Screening. Bioorg. Med. Chem. Lett., 2014. 24(5) : 1261–1264 Detail

3. Yiming Shi, Liyan Wang, Xisheng Zou, Xiaonian Li, Shanzhai Shang, Zhonghua Gao, Chengqin Liang, Huairong Luo, Honglin Li, Weilie Xiao*, Handong Sun*. Nortriterpenoids from Schisandra chinensis and their absolute configurational assignments by electronic circular dichroism study. Tetrahedron, 2014. 70(4) : 859–868 Detail

4. Feifei Lu, Feng Gao, Honglin Li, Weimin Gong, Lin Zhou*, Lijun Bi*. Purification, crystallization and preliminary X-ray crystallographic studies of Rv3705c from Mycobacterium tuberculosis. Acta Cryst., 2014. F70 : 1090-1092 Detail

5. Do Young Lim, Mee-Hyun Lee, Seung Ho Shin, Hanyoung Chen, Joohyun Ryu, Lei Shan, Honglin Li, Ann M. Bode, Weidong Zhang*, Zigang Dong*. (+)-2-(1-Hydroxyl-4-Oxocyclohexyl) Ethyl Caffeate Suppresses Solar UV-Induced Skin Carcinogenesis by Targeting PI3K, ERK1/2, and p38. Cancer Prev. Res., 2014. 7 : 856-865 Detail

6. Li Liu, Yaping Hua, Dan Wang, Lei Shan, Yuan Zhang, Junsheng Zhu, Huizi Jin, Honglin Li, Zhenlin Hu*, Weidong Zhang*. A Sesquiterpene Lactone from a Medicinal Herb Inhibits Proinflammatory Activity of TNF-a by Inhibiting Ubiquitin-Conjugating Enzyme UbcH5. Chem. Biol., 2014. 21(10) : 1341-1350 Detail

7. Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei*, Xiaofeng Liu*, Hualiang Jiang, Luhua Lai, Honglin Li*. iDrug: a web-accessible and interactive drug discovery and design platform. J. Cheminform., 2014. 6 : 28 Detail

8. Shoude Zhang, Lei Shan, Qiao Li, Xia Wang, Shiliang Li, Yuan Zhang, Jianjun Fu, Xiaofeng Liu, Honglin Li*, Weidong Zhang*. Systematic Analysis of the Multiple Bioactivities of Green Tea through a Network Pharmacology Approach. Evid. Based Complement. Alternat. Med., 2014. 2014 : 512081 Detail

1. Mengzhu Xue, Minghao Xu, Weiqiang Lu, Jin Huang, Honglin Li, and Yufang Xu, Xiaofeng Liu*, Zhenjiang Zhao*. Synthesis, activity evaluation, and docking analysis of barbituric acid aryl hydrazone derivatives as RSK2 inhibitors. J. Enzyme Inhib. Med. Chem., 2013. 28(4) : 747-752 Detail

2. Shanzhai Shang, Lingmei Kong, Liping Yang, Jing Jiang, Jin Huang, Haibo Zhang, Yiming Shi, Wei Zhao, Honglin Li, Huairong Luo, Yan Li, Weilie Xiao*, Handong Sun*. Bioactive phenolics and terpenoids from Manglietia insignis. Fitoterapia, 2013. 84 : 58-63 Detail

3. Jiayu Gong, Xiaofeng Liu, Xianwen Cao, Yanyan Diao, Daqi Gao, Honglin Li*, Xuhong Qian*. PTID: an integrated web resource and computational tool for agrochemical discovery. Bioinformatics, 2013. 29(2) : 292-294 Detail

4. Dasong Yang, Youli Zhang, Weibing Peng, Liyan Wang, Zilei Li, Xue Wang, Kechun Liu , Yongping Yang, Honglin Li*, Xiaoli Li*. Jatropholane-Type Diterpenes from Euphorbia sikkimensis. J. Nat. Prod., 2013. 76 (2) : 265-269 Detail

5. Hu Yuan, Weiqiang Lu, Liyan Wang, Lei Shan, Honglin Li, Jin Huang*, Qingyan Sun*, Weidong Zhang*. Synthesis of derivatives of methyl rosmarinate and their inhibitory activities against matrix metalloproteinase-1 (MMP-1). Eur. J. Med. Chem., 2013. 62 : 148-157 Detail

6. Yilun Ying, Xing Zhang, Yu Liu, Mengzhu Xue, Honglin Li, Yitao Long*. Single Molecule Study of the Weak Biological Interactions Between P53 and DNA. Acta Chimi. Sinica, 2013. 71(01) : 44-50 Detail

7. Ye Zhong, Mengzhu Xue, Xue Zhao, Jun Yuan, Xiaofeng Liu, Jin Huang, Zhenjiang Zhao*, Honglin Li*, Yufang Xu*. Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors:molecular docking simulation and structure-activity relationship analysis. Bioorg. Med. Chem., 2013. 21(7) : 1724-1734 Detail

8. Rui Gao, Sha Liao, Chen Zhang, Weilong Zhu, Liyan Wang, Jin Huang, Zhenjiang Zhao**, Honglin Li, Xuhong Qian, Yufang Xu*. Optimization of heterocyclic substituted benzenesulfonamides as novel Cabonic Anhydrase IX inhibitors and their structure activity relationship. Eur. J. Med. Chem., 2013. 62 : 597-604 Detail

9. Yuwei Song, Huangtao Jin, Xiaofeng Liu, Lili Zhu*, Jin Huang*, Honglin Li*. Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening. Bioorg. Med. Chem. Lett., 2013. 23(7) : 2078-2082 Detail

10. Fang Bai, Yechun Xu, Jing Chen, Qiufeng Liu, Junfeng Gu, Xicheng Wang, Jianpeng Ma, Honglin Li*, Jose N. Onuchic*, Hualiang Jiang*. Free energy landscape for the binding process of Huperzine A to acetylcholinesterase. Proc. Natl. Acad. Sci. U.S.A., 2013. 110(11) : 4273-4278 Detail

11. Xianwen Cao, Jing Jiang, Shoude Zhang, Lili Zhu, Juan Zou, Yanyan Diao, Weilie Xiao, Lei Shan, Handong Sun, Weidong Zhang*, Jin Huang*, Honglin Li*. Discovery of Natural Estrogen Receptor Modulators with Structure-based Virtual Screening. Bioorg. Med. Chem. Lett., 2013. 23 : 3329-3333 Detail

12. Zheng Wang, Shuai Luo, Shoude Zhang, Wulin Yang, Yangzi Liu, Honglin Li, Xiaoyan Luo, Weiping Deng*. Catalytic Asymmetric Construction of Quaternary alpha-Amino Acid Containing Pyrrolidines through 1,3-Dipolar Cycloaddition of Azomethine Ylides to alpha-Aminoacrylates. Chem. Eur. J., 2013. 19(21) : 6739-6745 Detail

13. Xiaojuan Yu, Xue Zhao, Lili Zhu, Chuanxin Zou, Xiaofeng Liu, Zhenjiang Zhao, Jin Huang*, Honglin Li*. Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening. Med. Chem. Commun., 2013. 4 : 962-971 Detail

14. Mengzhu Xue, Shoude Zhang, Chaoqian Cai, Xiaojuan Yu, Lei Shan, Xiaofeng Liu*, Weidong Zhang*, Honglin Li*. Predicting the Drug Safety for Traditional Chinese Medicine through a Comparative Analysis of Withdrawn Drugs Using Pharmacological Network. Evid. Based Complement. Alternat. Med., 2013. 2013 : 256782 Detail

15. Liyan Wang, Chunmei Yang, Weiqiang Lu, Li Liu, Rui Gao, Sha Liao, Lili Zhu, Zhenjiang Zhao, Yufang Xu, Honglin Li*, Jin Huang*, Weiping Zhu*. Discovery of New Potent Inhibitors for Carbonic Anhydrase IX by Structure-Based Virtual Screening. Bioorg. Med. Chem. Lett., 2013. 23 : 3496-3499 Detail

16. Jiayu Gong, Chaoqian Cai, Xiaofeng Liu*, Xin Ku, Hualiang Jiang, Daqi Gao, Honglin Li*. ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method. Bioinformatics, 2013. 29(14) : 1827-1829 Detail

17. Tianfeng Xu, Lianwen Zhang, Shilin Xu, Chaoyie Yang, Jinfeng Luo, Fang Ding, Xiaoyun Lu*, Yinxue Liu, Zhengchao Tu, Shiliang Li, Duanqing Pei, Qian Cai, Honglin Li, Xiaomei Ren, Shaomeng Wang, Ke Ding*. Pyrimido[4,5-d]pyrimidin-4(1H)-one Derivatives as Selective Inhibitors of EGFR Threonine790 to Methionine790 (T790M) Mutants. Angew. Chem. Int. Ed. Engl., 2013. 125 (32) : 8545-8548 Detail

18. Chaoqian Cai, Jiayu Gong, Xiaofeng Liu, Daqi Gao*, Honglin Li*. SimG: An Alignment Based Method for Evaluating the Similarity of Small Molecules and Binding Sites. J. Chem. Inf. Model., 2013. 53 (8) : 2103–2115 Detail

19. Jun Yuan, Ye Zhong, Shiliang Li, Xue Zhao, Guoqin Luan, Zhenjiang Zhao, Jin Huang*, Honglin Li*, Yufang Xu*. Triazole and benzotrizaole derivatives as novel inhibitors for p90 ribosomal S6 protein kinase 2: synthesis, molecular docking and SAR analysis. Chin. J. Chem., 2013. 31(9) : 1192-1198 Detail

20. Chaoqian Cai, Jiayu Gong, Xiaofeng Liu, Daqi Gao*, Honglin Li*. Molecular Similarity: Methods and Performance. Chin. J. Chem., 2013. 31(9) : 1123-1132 Detail

21. Wei Zhou , Xiaofeng Liu , Zhengchao Tu , Lianwen Zhang , Xin Ku , Fang Bai , zhenjiang zhao , Yufang Xu* , Ke Ding*, Honglin Li*. Discovery of pteridin-7(8H)-one-based Irreversible Inhibitors targeting Epidermal Growth Factor Receptor (EGFR) Kinase T790M/L858R mutant. J. Med. Chem., 2013. 56 (20) : 7821–7837 Detail

22. Mingyue Zheng, Xian Liu, Yuan Xu, Honglin Li, Cheng Luo, Hualiang Jiang*. Computational methods for drug design and discovery: focus on China. Trends Pharmacol. Sci. , 2013. 34(10) : 549-559 Detail

23. Minghao Xu, Junsheng Zhu, Yanyan Diao, Hongchang Zhou, Xiaoli Ren, Deheng Sun, Jin Huang, Dongmei Han, Zhenjiang Zhao, Lili Zhu *, Yufang Xu *, Honglin Li *. Novel Selective and Potent Inhibitors of Malaria Parasite Dihydroorotate Dehydrogenase: Discovery and Optimization of Dihydrothiophenone Derivatives. J. Med. Chem., 2013. 56 (20) : 7911–7924 Detail

24. Jun Yuan, Zhenjiang Zhao*, Weiping Zhu, Honglin Li, Xuhong Qian, Yufang Xu*. New strategy for the synthesis of 2-phenylbenzimidazole derivatives with sodium perborate (SPB) as oxidant. Tetrahedron, 2013. 69(34) : 7026-7030 Detail

25. Chuanxin Zou, Jiayu Gong, Honglin Li*. An improved sequence based prediction protocol for DNA-binding proteins using SVM and comprehensive feature analysis. BMC Bioinformatics, 2013. 14 : 90 Detail

1. Liyan Wang, Weiqiang Lu, Shoude Zhang, Xi Li, Sha Liao, Xiaofeng Liu, Lei Shan, Xu Shen, Hualiang Jiang, Weidong Zhang*, Jin Huang*, Honglin Li*. Natural Products as a Gold Mine for Selective Matrix Metalloproteinases Inhibitors. Bioorg. Med. Chem., 2012. 20(13) : 4164-4171 Detail

2. Mengzhu Xue, Xianwen Cao, Ye Zhong, Dong Kuang, Xiaofeng Liu, Zhenjiang Zhao, Honglin Li*. Insulin-like Growth Factor-1 Receptor (IGF-1R) Kinase Inhibitors in Cancer Therapy: Advances and Perspectives. Curr. Pharm. Des., 2012. 18 : 2901-2913 Detail

3. Junmian Tian, Sisheng Ouyang, Xu Zhang, Yingtong Di, Hualiang Jiang, Honglin Li, Weixing Dai, Keyu Chen, Maili Liu, Xiaojiang Hao, Yunheng Shen*, Cheng Luo*, Weidong Zhang*. Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides. RSC Adv., 2012. 2 : 1126-1135 Detail

4. Juan Zou, Libin Yang, Jing Jiang, Yanyan Diao, Xiaonian Li, Jin Huang, Jianhong Yang, Honglin Li, Weilie Xiao*, Xue Du, Shanzhai Shang, Jianxin Pu, Handong Sun*.. Lanostane Triterpenoids from the Stems of Schisandra glaucescens. Planta Med., 2012. 78(5) : 472-479

5. Fang Bai, Hongyan Liu, Linjiang Tong, Wei Zhou, Li Liu, Zhenjiang Zhao, Xiaofeng Liu, Hualiang Jiang, Xicheng Wang*, Hua Xie*, Honglin Li*. Discovery of Novel Selective Inhibitors for EGFR-T790M/L858R. Bioorg. Med. Chem. Lett., 2012. 22(3) : 1365-1370 Detail

6. Jiahan Xia, Shoude Zhang, Yongli Li, Liang Wu, Zhijun Zhu, Xianwen Yang*, Huawu Zeng, Honglin Li, Ning Wang, Andre Steinmetz, Weidong Zhang*. Sesquiterpenoids and triterpenoids from Abies holophylla and their bioactivities. Phytochemistry, 2012. 74 : 178-184 Detail

7. Shaohua Chang, Zhang Zhang, Xiaoxi Zhuang, Jinfeng Luo, Xianwen Cao, Honglin Li, Zhengtao Tu, Xiaoyun Lu, Xiaomei Ren, Ke Ding*. New thiazole carboxamides as potent inhibitors of Akt Kinases. Bioorg. Med. Chem. Lett., 2012. 22 : 1208-1212 Detail

8. Shoude Zhang, Jiangjiang Qin, Huizi Jin, Yinhua Yin, Honglin Li, Xianwen Yang, Xia Li, Lei Shan*, Weidong Zhang*. Sesquiterpenoids from Inula racemosa Hook. f. Inhibit Nitric Oxide Production. Planta Med., 2012. 78(2) : 166-171 Detail

9. Chaoqian Cai, Jiayu Gong, Xiaofeng Liu, Hualiang Jiang, Daqi Gao*, Honglin Li*. A Novel, Customizable and Optimizable Parameter Method Using Spherical Harmonic for Molecular Shape Similarity Comparison. J. Mol. Model., 2012. 18 : 1597-1610

10. Jin Zhang, Jing Zhou, Xiaomei Ren, Yanyan Diao, Honglin Li, Hualiang Jiang, Ke Ding, Duanqing Pei. A new diaryl urea compound, D181, induces cell cycle arrest in the G1 and M phases by targeting receptor tyrosine kinases and the microtubule skeleton. Invest. New Drugs, 2012. 30(2) : 490-507

11. U.R. Mane, H. Li, J. Huang, R.C. Gupta, S. S. Nadkarni, R. Giridhar, P. P. Naik, M. R. Yadav*. Pyrido[1,2-a]pyrimidin-4-ones as antiplasmodial falcipain-2 inhibitors. Bioorg. Med. Chem., 2012. 20 (21) : 6296-6304 Detail

12. Yanyan Diao, Weiqiang Lu, Huangtao Jin, Junsheng Zhu, Le Han, Minghao Xu, Rui Gao, Xu Shen, Zhenjiang Zhao, Xiaofeng Liu, Yufang Xu, Jin Huang*, Honglin Li*. Discovery of Diverse Human Dihydroorotate Dehydrogenase Inhibitors as Immunosuppressive Agents by Structure-Based Virtual Screening. J. Med. Chem., 2012. 55 : 8341-8349 Detail

13. Huang Huang, Weiqiang Lu, Xi Li, Xiaoli Cong, Hongmei Ma, Xiaofeng Liu*, Yu Zhang, Peng Che, Ruoqun Ma, Honglin Li, Xu Shen, Hualiang Jiang, Jin Huang*, Jin Zhu*. Design and synthesis of small molecular dual inhibitor of falcipain-2 and dihydrofolate reductase as antimalarial agent. Bioorg. Med. Chem. Lett., 2012. 22 : 958-962

14. Jianjun Fu, Liyan Wang, Honglin Li, Jiangjiang Qin ,Yunheng Shen, Jiagao Cheng, Huizi Jin*, Weidong Zhang*. Argutalactone, an unprecedented sesquiterpenoid lactone with a 6/5/7 tricyclic system from Incarvillea arguta. J. Asian Nat. Prod. Res., 2012. 14(5) : 496-502

15. Juan Zou, Jing Jiang, Yanyan Diao, Libin Yang, Jin Huang, Honglin Li, Xue Du, Weilie Xiao*, Jianxin Pu, Handong Sun*. Cycloartane triterpenoids from the stems of Schisandra glaucescens and their bioactivity. Fitoterapia, 2012. 83, 5 : 926-931

16. Mengzhu Xue, Jun Yuan, Bin Wu, Xue Zhao, Xiaofeng Liu, Jin Huang, Zhenjiang Zhao*, Honglin Li*, Yufang Xu. Novel inhibitors for p90 ribosomal S6 protein kinase 2: design, synthesis and SAR. J. Chin. Pharm. Sci., 2012. 21(5) : 401-408

17. Ping Yu, Shoude Zhang, Yongli Li, Xianwen Yang*, Huawu Zeng, Honglin Li, Weidong Zhang*. . Abieseconordines A and B,Two Novel Norditerpenoids with a 18-Nor-5,10 : 9,10-disecoabietane Skeleton from Abies forrestii. Helv. Chim. Acta, 2012. 95 : 415-422

18. Yongli Li, Shoude Zhang, Huizi Jin, Junmian Tian, Yunheng Shen, Xianwen Yang*, Honglin Li, Weidong Zhang*. Abiestetranes A and B, two unique tetraterpenes from Abies fabric.. Tetrahedron, 2012. 68 : 7763-7767

19. Li Li, Huawu Zeng, Fang Liu, Jigang Zhang, Rongcai Yue, Weiqiang Lu, Xing Yuan, Weixing Dai, Hu Yuan, Qingyan Sun, Jin Huang, Honglin Li, Yushan Li, Lei Shan, Weidong Zhang. Target identification and validation of (+)-2-(1-hydroxyl-4-oxocyclohexyl) ethyl caffeate, an anti-inflammatory natural product. Eur. J. Inflamm., 2012. 10(3) : 29-41 Detail

20. Junfeng Gu, Fang Bai, Honglin Li, Xicheng Wang*. A Generic Force Field for Protein Coarse-Grained Molecular Dynamics Simulation. Int. J. Mol. Sci., 2012. 13(11) : 14451-14469 Detail

1. Shiliang li, Yi Zhou, Weiqiang Lu, Ye Zhong, Jin Huang*, zhenjiang zhao, Xiaofeng Liu*, Yufang Xu, Honglin Li. Identification of Inhibitors against p90 Ribosomal S6 Kinase 2 (RSK2) through Structure-based Virtual Screening with the Inhibitor-constrained Refined Homology Model. J. Chem. Inf. Model., 2011. 51(11) : 2939-2947

2. Siyang Fan, Yuehu Pei, Huawu Zeng, Shoude Zhang, Yongli Li, Li Li, Ji Ye, Yuexin Pan, Honglin Li, Weidong Zhang*. Compounds from Platycladus orientalis and Their Inhibitory Effects on Nitric Oxide and TNF-α Production. Planta Med., 2011. 77 : 1623-1630

3. Linjiang Tong, Hua Xie, Ting Peng, Xiaofeng Liu, Xianliang Xin, Xun Huang, Simeng Chen, Hongyan Liu, Honglin Li, Meiyu Geng, Ming Yin*, Jian Ding*. Establishment of platform for screening insulin-like growth factor-1 receptor inhibitors and evaluation of novel inhibitors. Acta Pharmacol. Sin., 2011. 32(7) : 930-938

4. Xiaofeng Liu, Hualiang Jiang, Honglin Li*. SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening. J. Chem. Inf. Model., 2011. 51(9) : 2372-2385

5. Weiqiang Lu, Xiaofeng Liu, Xianwen Cao, Mengzhu Xue, Kangdong Liu*, Zhenjiang Zhao, Xu Shen, Hualiang Jiang, Yufang Xu, Jin Huang*, Honglin Li*. SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 2. Prospective Case Study in the Discovery of Diverse p90 Ribosomal S6 Protein Kinase 2 Inhibitors to Suppress Cell Migration. J. Med. Chem., 2011. 54 : 3564-3574

6. Guido Hansen, Anna Heitmann, Tina Witt, Honglin Li, Hualiang Jiang, Xu Shen, Volker T. Heussler, Annika Rennenberg, Rolf Hilgenfeld*. Structural Basis for the Regulation of Cysteine-Protease Activity by a New Class of Protease Inhibitors in Plasmodium. Structure, 2011. 19(7) : 919-929

7. Shenyi Zhang, Chunmei Yang, Weiqiang Lu, Jin Huang, Weiping Zhu, Honglin Li, Yufang Xu*. Xuhong Qian*. A highly selective space-folded photo-induced electron transfer fluorescent probe for carbonic anhydrase isozymes IX and its applications for biological imaging. Chem. Commun., 2011. 47 : 8301-8303

8. Lijie Peng, Lei Duan, Xiaofeng Liu, Mengjie Shen, Yingjun Li, Jiajie Yan, Honglin Li, Ke Ding*. Structure-activity study on a series of α-glutamic acid scaffold based compounds as new ADAMTS inhibitors. Bioorg. Med. Chem. Lett., 2011. 21(15) : 4457-4461

9. Jing Deng, Enguang Feng, Sheng Ma, Yan Zhang, Xiaofeng Liu, Honglin Li*, Huang Huang, Jin Zhu, Weiliang Zhu, Xu Shen, Liyan Miao*, Hong Liu, Hualiang Jiang, Jian Li*. Design and Synthesis of Small Molecule RhoA Inhibitors: A New Promising Therapy for Cardiovascular Diseases?. J. Med. Chem., 2011. 54(13) : 4508-4522

10. Li Liu, Xiaofeng Liu, Jiayu Gong, Hualiang Jiang, Honglin Li*. Accelerating All-Atom Normal Mode Analysis with Graphics Processing Unit. J. Chem. Theory Comput., 2011. 7 (6) : 1595-1603

11. Zhuo Chen, Xin Wang, Weiping Zhu, Xianwen Cao, Linjiang Tong, Honglin Li, Hua Xie*, Yufang Xu*, Shaoying Tan, Dong Kuang, Jian Ding, Xuhong Qian*. Acenaphtho[1,2-b]pyrrole-Based Selective Fibroblast Growth Factor Receptors 1 (FGFR1) Inhibitors: Design, Synthesis, and Biological Activity. J. Med. Chem., 2011. 54(11) : 3732-3745

12. Shoude Zhang, Weiqiang Lu, Xiaofeng Liu, Yanyan Diao, Fang Bai, Lei Shan*, Jin Huang*, Honglin Li*, Weidong Zhang*. Fast and effective identification of the bioactive compounds and their targets form the medicinal plants via computational chemical biology approach. Med. Chem. Comm., 2011. 2(6) : 471-477

13. Xiujie Liu, Xiaoli Huang, Wanhua Lin, Dongye Wang, Yanyan Diao, Honglin Li, Xiaoyan Hui, Yu Wang, Aimin Xu, Donghai Wu*, Ding Ke*. New Aromatic Substituted Pyrazoles as Selective Inhibitors of Human Adipocyte Fatty Acid-Binding Protein. Bioorg. Med. Chem. Lett., 2011. 21(10) : 2949-2952

14. Jiangjiang Qin, Liyan Wang, Jiaxian Zhu, Huizi Jin*, Jianjun Fu, Xiaofeng Liu, Honglin Li, Weidong Zhang*. Neojaponicone A, a bioactive sesquiterpene lactone dimer with an unprecedented carbon skeleton from Inula japonica. Chem. Commun., 2011. 47 : 1222-1224

15. Weiqiang Lu, Peng Che, Yanyan Zhang, Honglin Li, Shien Zou, Jin Zhu, Jing Deng, Xu Shen, Hualiang Jiang, Jian Li*, Jin Huang*. HL005—A new selective PPARantagonist specifically inhibits the proliferation of MCF-7. J. Steroid Biochem. Mol. Biol., 2011. 124 : 112-120 Detail

16. Zhongjie Liang, Liying Zhang, Lianchun Li, Jun Liu, Honglin Li, Luyong Zhang, Limin Chen, Keguang Cheng, Mingyue Zheng, Xiaoan Wen, Pu Zhang, Jia Hao, Yanchun Gong, Xia Zhang, Xiaoyun Zhu, Jun Chen, Hong Liu, Hualiang Jiang, Cheng Luo*, Hongbin Sun*. Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies. Eur. J. Med. Chem., 2011. 46 (6) : 2011-2021 Detail

1. Fang Bai, Xiaofeng Liu, Jiabo Li, Haoyun Zhang, Hualiang Jiang, Xicheng Wang*, Honglin Li*. Bioactive Conformational Generation of Small Molecules: A Comparative Analysis between Force-Field and Multiple Empirical Criteria Based Methods. BMC Bioinformatics, 2010. 11 : 545 Detail

2. Zhongjie Liang, Ting Shi, Sisheng Ouyang, Honglin Li, Kunqian Yu, Weiliang Zhu, Cheng Luo*, Hualiang Jiang*. Investigation of the Catalytic Mechanism of Sir2 Enzyme with QM/MM Approach: SN1 vs SN2?. J. Phys. Chem. B., 2010. 114 : 11927-11933 Detail

3. Xiaofeng Liu, Sisheng Ouyang, Biao Yu, Yabo Liu, Kai Huang, Jiayu Gong, Siyuan Zheng, Zhihua Li, Honglin Li*, Hualiang Jiang*. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res., 2010. 38 : W609-W614 Detail

4. Xiaofeng Liu, Hua Xie*, Cheng Luo, Linjiang Tong, Yi Wang, Ting Peng, Jian Ding, Hualiang Jiang, Honglin Li*. Discovery and SAR of Thiazolidine-2,4-dione Analogues as Insulin-like Growth Factor-1 Receptor (IGF-1R) Inhibitors via Hierarchical Virtual Screening. J. Med. Chem., 2010. 53 (6) : 2661-2665 Detail

1. Lei Zhang, Honglin Li, Qingzhang Zhu, Jun Liu, Ling Chen, Ying Leng*, Hualiang Jiang*, Hong Liu. Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase. Bioorg. Med. Chem., 2009. 17(20) : Dec-01 Detail

2. Honglin Li, Jin Huang, Lili Chen, XiaoFeng Liu, Tong Chen, Jin Zhu, Weiqiang Lu, Xu Shen, Jian Li*, Rolf Hilgenfeld*, Hualiang Jiang*. Identification of novel falcipain-2 inhibitors as potential antimalarial agents through structure-based virtual screening. J. Med. Chem., 2009. 52(15) : 4936-40 Detail

3. ChulHo Jeong, Ann M. Bode, Angelo Pugliese, YongYeon Cho, HongGyum Kim, JungHyun Shim, YoungJin Jeon, Honglin Li, Hualiang Jiang, Zigang Dong*. [6]-Gingerol suppresses colon cancer growth by targeting leukotriene A4 hydrolase. Cancer Res., 2009. 69(13) : 5584-91 Detail

4. Xiaofeng Liu, Fang Bai, Sisheng Ouyang, Xicheng Wang, Honglin Li*, Hualiang Jiang*. Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation. BMC Bioinformatics, 2009. 10 : 101 Detail

5. Lingyan He, Liang Zhang, Xiaofeng Liu, Xianghua Li, Mingyue Zheng, Honglin Li, Kunqian Yu, Kaixian Chen, Xu Shen*, Hualiang Jiang*, Hong Liu*. Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J. Med. Chem., 2009. 52(8) : 2465-81 Detail

6. Keguang Cheng, Jun Liu, Xiaofeng Liu, Honglin Li, Hongbin Sun*, Juan Xie*. Synthesis of glucoconjugates of oleanolic acid as inhibitors of glycogen phosphorylase. Carbohydr. Res., 2009. 344(7) : 841-50 Detail

7. Junfeng Gu, Honglin Li, Hualiang Jiang, Xicheng Wang. Optimizing energy potential for protein fold recognition with parametric evaluation function. J. Comput. Biol., 2009. 16(3) : 427-42 Detail

8. Jin Zhu, Tong Chen, Jie Liu, Ruoqun Ma, Weiqiang Lu, Jin Huang*, Honglin Li*, Jian Li*, Hualiang Jiang . 2-(3,4-dihydro-4-oxothieno[2,3-d]pyrimidin-2-ylthio) acetamides as a new class of falcipain-2 inhibitors. 3. design, synthesis and biological evaluation. Molecules, 2009. 14(20) : 785-97 Detail

9. Honglin Li*, Hailei Zhang, Mingyue Zheng, Jie Luo, Ling Kang, Xiaofeng Liu, Xicheng Wang*, Hualiang Jiang* . An effective docking strategy for virtual screening based on multi-objective optimization algorithm. BMC Bioinformatics, 2009. 10 : 58 Detail

10. Lingyan He, Liang Zhang, Xiaofeng Liu, Xianghua Li, Mingyue Zheng, Honglin Li, Kunqian Yu, Kaixian Chen, Xu Shen*, Hualiang Jiang*, Hong Liu*. 2-amido-3-(1H-indol-3-yl)-N-substituted-propanamides as a new class of falcipain-2 inhibitors. 1. Design, synthesis, biological evaluation and binding model studies. Molecules, 2009. 14(1) : 494-508 Detail

11. Junfeng Gu, Honglin Li, Hualiang Jiang*, Xicheng Wang*. A simple Calpha-SC potential with higher accuracy for protein fold recognition. Biochem. Biophys. Res. Commun., 2009. 379(2) : 610-5 Detail

12. Ling Kang, Honglin Li, Hualiang Jiang, Xicherng Wang. An improved adaptive genetic algorithm for protein-ligand docking. J. Comput. Aided Mol. Des., 2009. 23(1) : 1月12日 Detail

13. Ling Kang, Honglin Li, Xiaoyu Zhao, Hualiang Jiang, Xicheng Wang. A novel conformation optimization modeland algorithm for structure-based drug design. J. Math. Chem., 2009. 46 : 182-198 Detail

14. Zhi Chen, HongLin Li*, QiJun Zhang, XiaoGuang Bao, KunQian Yu, XiaoMin Luo, WeiLiang Zhu, HuaLiang Jiang*. Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets. Acta Pharmacol. Sin., 2009. 30 : 1694-1708 Detail

1. Xiaoyu Zhao, Xiaofeng Liu, Yuanyuan Wang, Zhi Chen, Ling Kang, Hailei Zhang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Honglin Li*, Xicheng Wang*, Hualiang Jiang*. An improved PMF scoring function for universally predicting the interactions of a ligand with protein, DNA, and RNA. J. Chem. Inf. Model., 2008. 48(7) : 1438-47 Detail

2. Zhenting Gao, Honglin Li*, Hailei Zhang, Xiaofeng Liu, Ling Kang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Xicheng Wang*, Hualiang Jiang*. PDTD: a web-accessible protein database for drug target identification. BMC Bioinformatics, 2008. 9 : 104 Detail

3. Xinli Liu, Yechun Xu, Honglin Li, Xicheng Wang*, Hualiang Jiang*, Francisco J. Barrantes. Mechanics of channel gating of the nicotinic acetylcholine receptor. PLoS Comput. Biol., 2008. 4(1): : e19 Detail

4. Ligen Lin, Hua Xie, Honglin Li, Linjiang Tong, Chunping Tang, Changqiang Ke, Qunfang Liu, Liping Lin, Meiyu Geng, Hualiang Jiang, Weimin Zhao*, Jian Ding, Yang Ye*. Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening. J. Med. Chem., 2008. 51(15) : 4419-29 Detail

1. Ling Chen, Hongling Li*, Jun Liu, Luyong Zhang, Hong Liu*, Hualiang Jiang. Discovering benzamide derivatives as glycogen phosphorylase inhibitors and their binding site at the enzyme. Bioorg. Med. Chem., 2007. 15(21) : 6763-74 Detail

1. Honglin Li, Zhengting Gao, Ling Kang, Hailei Zhang, Kun Yang, Kunqian Yu, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianhua Shen, Xicheng Wang*, Hualiang Jiang*. TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res., 2006. 34 : W219-24 Detail

2. Hongqin Feng, Lingyun Jia*, Honglin Li, Xicheng Wang. Screening and chromatographic assessing of a novel IgG biomimetic ligand. Biomed. Chromatogr., 2006. 20(10) : 1109-15 Detail

1. Honglin Li, Chunlian Li, Chunshan Gui, Xiaomin Luo, Kaixian Chen, Jianhua Shen, Xicheng Wang*, Hualiang Jiang*. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm. Bioorg. Med. Chem. Lett., 2004. 14 : 4671-4676 Detail