Dean of Department of Pharmaceutical Sciences

Contact Information

• Office:Room 535, Researching Building 18

• Email: gxliu@ecust.edu.cn

• Office Phone: +86 21 6425 0811

• Office Fax: +86 21 6425 1033

Education

• 2002.06 Ph.D.Quantum Chemistry, Jilin University, Changchun, P. R.China

• 1997.06 B.S.Chemical Education, Liaoning Normal University, Dalian, P. R. China

Professional Experience

• 2004-nowProfessorComputer-Aided Drug Design, Laboratory of Molecular Modeling & Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, P. R. China

• 2013-2014 Visiting Scholar  Chemical Informatics, Translational Informatics Division (with Prof. Tudor Oprea), University of New Mexico School of Medicine, Albuquerque, USA

• 2002-2004 Postdoc  Computer-Aided Drug Design, Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, CAS, Shanghai, P. R. China

Research Interests

• Computer-aided drug design by means of virtual screening, 3D-QSAR analysis, pharmacophore modeling, molecular docking, etc.

• Molecular dynamics simulation on biomacromolecules, especially on the diabetes related targets.

• Quantum chemical studies on some reaction mechanisms.

Publication

1. Hanyang Hu, Yufeng Wei, Daocheng Wang, Ni Su, Xianjun Chen, Yuzheng Zhao, Guixia Liu*, Yi Yang*. Glucose monitoring in living cells with single fluorescent protein-based sensors. RSC Adv., 2018, 8, 2485-2489.

2. Defang Fan, Hongbin Yang, Fuxing Li, Lixia Sun, Peiwen Di, Weihua Li, Yun Tang,* Guixia Liu*. In silico prediction of chemical genotoxicity using machine learning methods and structural alerts. Toxicol. Res., 2018, 7, 211-220.

3. Congbin Yang^#, Peiwen Di^#, Jinping Fu, Hui Xiong, Qiufang Jinga, Guobin Ren, Yun Tang, Wenyun Zheng, Guixia Liu*, Fuzheng Ren*. Improving the physicochemical properties of bicalutamide by complex formation with bovine serum albumin. Eur. J. Pharm. Sci., 2017, 106, 381-392.

4. Qin Wang, Xiao Li, Hongbin Yang, Yingchun Cai, Yinyin Wang, Zhuang Wang, Weihua Li, Yun Tang*, Guixia Liu*. In silico prediction of serious eye irritation or corrosion potential of chemicals. RSC Adv., 2017, 7, 6697-6703.

5. Fuxing Li, Defang Fan, Hao Wang, Hongbin Yang, Weihua Li, Yun Tang*, Guixia Liu*. In silico prediction of pesticide aquatic toxicity with chemical category approaches. Toxicol. Res., 2017, 6, 831-842.

6. Dac-Trung Nguyen, Stephen Mathias, Cristian Bologa, Soren Brunak, Nicolas Fernandez, Anna Gaulton, Anne Hersey, Jayme Holmes, Lars Juhl Jensen, Anneli Karlsson, Guixia Liu, Avi Ma’ayan, Geetha Mandava, Subramani Mani, Saurabh Mehta, John Overington, Juhee Patel, Andrew D. Rouillard, Stephan Schürer, Timothy Sheils, Anton Simeonov, Larry Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy Yang, Ajit Jadhav, Tudor Oprea*, Rajarshi Guha*. Pharos: collating protein information to shed light on the druggable genome. Nucleic Acids Res., 2017, 45, D995-D1002.

7. Zengrui Wu, Weiqiang Lu, Dang Wu, Anqi Luo, Hanping Bian, Jie Li, Weihua Li, Guixia Liu, Jin Huang, Feixiong Cheng, Yun Tang. In silico prediction of chemical mechanism of action via an improved network-based inference method. Brit. J. Pharmacol., 2016, 173, 3372-3385.

8. Xiangmin Li, Yongjun Zheng, Hongjuan Tong, Rui Qian, Lin Zhou, Guixia Liu, Yun Tang, Hao Li, Kaiyan Lou, Wei Wang. Rational design of an ultrasensitive and highly selective chemodosimeter by a dual quenching mechanism for cysteine based on a facile nichael-transcyclization cascade reaction. CHEM.-EUR. J., 2016, 22, 9247-9256.

9. Fuxing Li, Xianqiang Sun, Yingchun Cai, Defang Fan, Weihua Li, Yun Tang*, Guixia Liu*. Computational investigation of the interaction mechanism between the estrogen related receptor α and its agonists. RSC Adv., 2016, 6, 94119-94127.

10. Juan Zhang, Shikai Gu, Xianqiang Sun, Weihua Li, Yun Tang*, Guixia Liu*. Computational insight into conformational states of glucagon-like peptide-1 receptor (GLP-1R) and its binding mode with GLP-1. RSC Adv., 2016, 6, 13490-13497.

11. Chen Zhang, Feixiong Cheng, Lu, Shulin Zhuang, Weihua Li, Guixia Liu, Philip Lee, Yun Tang. In silico prediction of chemical toxicity on avian species using chemical category approaches. Chemosphere, 2015, 122, 280-287.

12. Yongmin Yin, Congying Xu, Shikai Gu, Weihua Li, Guixia Liu*, Yun Tang*. Quantitative regression models for the prediction of chemical properties by an efficient workflow. Mol. Inform., 2015, 34, 679-688.

13. De-Tai Shi, Xiao-Li Wei, Yayun Sheng, Yi Zang, Xiao-Peng He, Juan Xie, Guixia Liu, Yun Tang, Jia Li & Guo-Rong Chen. Substitution pattern reverses the fluorescence response of coumarin glycoligands upon coordination with silver (I). Scientific Reports, 2014, 4, 4252.

14. Xiao Li, Lei Chen, Feixiong Cheng, Zengrui Wu, Hanping Bian, Congying Xu, Weihua Li, Guixia Liu, Xu Shen, and Yun Tang. In Silico Prediction of Chemical Acute Oral Toxicity Using Multi-Classification Methods. J. Chem. Inf. Model., 2014, 54, 1061-1069.

15. Liang Cai, Qing Fu, Rongwei Shi, Yun Tang, Yi-Tao Long, Xiao-Peng He*, Yu Jin*, Guixia Liu*, Guo-Rong Chen*, Kaixian Chen. ‘Pungent’ copper surface resists acid corrosion in strong HCl solutions. Ind. Eng. Chem. Res., 2014, 53, 64-69.