About SKLBE
Author: CreatedTime:2018-09-06 10:09:00
Honglin Li
Medicinal Chemistry and Computational Chemistry: PhD Supervisor
Computer Science and Technology: PhD Supervisor
Dr. Honglin Li received his bachelor degree in Chemical Engineering and, and PhD degree in engineering mechanics at Dalian University of Technology in 2000 and 2005, respectively. As apost-docto, he studiedat Shanghai Institute of Materia Medicafrom July 2005 to May 2008. Since March 2008, he worked at School of Pharmacy in East China University of Science & Technologyas a Professor of Medicinal Chemistry and Computational Chemistry. He is currently the director of Shanghai Key Laboratory of New Drug Design, themember of the State Key Laboratory of Bioreactor Engineering and the director of Pharmaceutical Professional Committee. He has published more than 100 papers on PNAS,Cancer Res.,Nucl. Acids Res.,J. Med. Chem.and J. Chem. Inf. Model.etc,participated in the compilation of five monographs, and applied for 56 patents with 16beinggranted.
Research Interests:
Methodologydevelopment of drug design, computational biology and cheminformatics.
Methodology development for in silico target identification and polypharmacology.
Application of drug discovery programs to discover novel lead compounds against various targets of diseases, such as malaria and cancer.
Identification and experimental validation for binding targets of natural products.
Lead optimization combining computational and experimental methods.
Drug-Target interaction mechanism with computational and structural biology.
Group Members:
1. Dr. Zhenjiang Zhao,, associate professor,majors in optimization and synthesis of kinase inhibitors.
2. Dr. Lili Zhu, associate professor, majors in structural biology.
3. Dr. Xiaofeng Liu, associate professor, majors in drug design.
4. Dr. Zhuo Chen, lecturer, majors in chemical biology.
5. Dr. Shoude Zhang, postdoctor, majors in natural medicinal chemistry.
Selected Publications:
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
Junsheng Zhu, Le Han, Yanyan Diao, Xiaoli Ren, Minghao Xu, Liu-Xin Xu, Shiliang li, Qiang Li, Dong Dong, Jin Huang, Xiaofeng Liu, Zhenjiang zhao, Rui Wang, Lili Zhu*, Yufang Xu, Xuhong Qian*, and 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(3), 1123-1139
Fang Bai, Sha Liao, Junfeng Gu, Hualiang Jiang, Xicheng Wang, and 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
Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei*, Xiaofeng Liu*, Hualiang Jiang, Luhua Lai and Honglin Li*. iDrug, a web-accessible and interactive drug discovery and design platform. J. Cheminform., 2014, 6, 28
Fang Bai, YechunXu, Jing Chen, Qiufeng Liu, JunfengGu, Xicheng Wang, Jianpeng Ma, Honglin Li*, José N. Onuchic*, and Hualiang Jiang*. Free energy landscape for binding process of Huperzine A to acetylcholinesterase. PNAS. 2013, 110(11) : 4273-4278.
Wei Zhou, Xiaofeng Liu, ZhengchaoTu, Lianwen Zhang, Xin Ku, Fang Bai, Zhenjiang Zhao, YufangXu*, Ke Ding*, and 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, 7821?7837.
MinghaoXu, Junsheng Zhu, YanyanDiao, Hongchang Zhou, XiaoliRen, Deheng Sun, Jin Huang, Dongmei Han, Zhenjiang Zhao, Lili Zhu*, YufangXu*, Honglin Li*. Novel Selective and Potent Inhibitors of Malaria Parasite DihydroorotateDehydrogenase: Discovery and Optimization of Dihydrothiophenone Derivatives. J. Med. Chem., 2013, 56, 7911?7924.
Jiayu Gong, Chaoqian Cai, Xiaofeng Liu*, Xin Ku, Hualiang Jiang, Daqi Gao and 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
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, 2103–2115
YanyanDiao, Weiqiang Lu, Huangtao Jin, Junsheng Zhu, Le Han, MinghaoXu, RuiGao, XuShen, Zhenjiang Zhao, Xiaofeng Liu, YufangXu, Jin Huang, and Honglin Li*. Discovery of Diverse Human Dihydroorotate Dehydrogenase Inhibitors as Immunosuppressive Agents by Structure-Based Virtual Screening. J. Med. Chem., 2012, 55, 8341?8349.
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.
Weiqiang Lu, Xiaofeng Liu, Xianwen Cao, MengzhuXue, Kangdong Liu*, Zhenjiang Zhao, XuShen, Hualiang Jiang, YufangXu, Jin Huang*, andHonglin 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.
Jing Deng, EnguangFeng, Sheng Ma, Yan Zhang, Xiaofeng Liu, Honglin Li*, Huang Huang, Jin Zhu, Weiliang Zhu, XuShen, Liyan Miao*, Hong Liu, Hualiang Jiang, and 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.
Li Liu, Xiaofeng Liu, Jiayu Gong, Hualiang Jiang, and Honglin Li*. Accelerating All-Atom Normal Mode Analysis with Graphics Processing Unit. J. Chem. Theory Comput., 2011, 7 (6), 1595-1603.
Xiaofeng Liu, SishengOuyang, Biao Yu, Yabo Liu, Kai Huang, Jiayu Gong, SiyuanZheng, Zhihua Li, Honglin Li*, Hualiang Jiang. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucl. Acids Res. 2010, 38, W609–W614.
Xiaofeng Liu, HuaXie*, Cheng Luo, Linjiang Tong, Yi Wang, Ting Peng, Jian Ding, Hualiang Jiang and 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.
Contacts:
Address: Room 527, the 18th Research Building, 130 Meilong Road, Xuhui District, Shanghai.
Phone/Fax: +86-21-64250213
Email: hlli@ecust.edu.cn
Homepage: http://lilab.ecust.edu.cn