Major in Cheminformatics, System Biology and Network Biology

Experience:

2010-2013 Ph D Student in East China University of Sci. & Tech.

2007-2010 MD in Shanghai Institute of Material Medica

2003-2007 BD in Wuhan University

Research topics:

  1. Designing inhibitors of RSK2 kinase;

  2. Systems Biology study on RSK2 signaling transduction;

  3. Systems Biology study on AAnetwork with inhibitors;

  4. The analysis of the Drugbank withdrawn drugs-target network and the approved drugs-target network.

Publications:

1. Lu, W. Q. Liu, X. F. Cao, X. W. Xue, M. Z. Liu, K. D. Zhao, Z. J. Shen, X. Jiang, H. L. Xu, Y. F. Huang, J. Li, H. L. 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 

2. Xue, M. Z*. Xu, M. H.* Lu, W. Q.* Huang, J. Li, H. L. Xu, Y. F. Liu, X. F. Zhao, Z. J. Synthesis, activity evaluation, and docking analysis of barbituric acid aryl hydrazone derivatives as RSK2 inhibitors. J. Enzyme. Inhib. Med. Chem. 2012. 05. (on line) DOI: 10.3109/14756366.2012.681651 (*co-authors) 

3. Xue, M. Z. Cao, X. W. Zhong, Y. Kuang, D. Liu, X. F. Zhao, Z. J. Li, H. L. Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors in cancer therapy: advances and perspectives. Curr. Pharm. Design 2012(18): 2901-2913

 4. Xue, M. Z. Yuan, J. Wu, B. Zhao, X. Liu, X. F. Huang, J. Zhao, Z. J. Li, H. L. Novel inhibitors for p90 ribosomal S6 protein kinase 2: design, synthesis and SAR. J. Chin. Pharm. Sci. 2012(21): 401-408

5. Zhong,Y. Xue, M. Z. Zhao, X. Yuan, J. Liu, X. F. Huang, J. Zhao, Z. J. Li, H. L. Xu. Y.F. 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):1724-1734

6. Xue, M. Z. Zhang, S. D. Cai, C.Q. Yu, X. J. Shan, L. Liu, X. F. Zhang, W. D. Li, H. L. Predicting the Drug Safety for Traditional Chinese Medicine through a Comparative Analysis of Withdrawn Drugs Using Pharmacological Network. Evid. Based Compl. Alt. Med. 2013. 04 (on line) DOI: 10.1155/2013/256782

Presentations:

1. Xue, M. Z. Liu, X. F. Li, H. L. The development and application of a novel approach SHAFTS for 3D molecular similarity calculation. (Poster), Chinese Medicinal Chemistry Symposium Guangzhou, China, November 2011 

2. Xue, M. Z. Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors in cancer therapy:advances and perspectives. (Talk), the 10^th Anunual symposium in the School of Pharmacy, East China University of Science and Technology, Shanghai, China, November 2012