博士,1979年出生,博士生导师,享受国务院政府特殊津贴。
华东师范大学紫江学者特聘教授、人工智能新药创智中心主任;
临港实验室双聘研究员;
教育及研究工作经历:
2000年6月,毕业于大连理工大学化工学院精细化工系,获学士学位
2005年6月,毕业于大连理工大学工程力学系,获博士学位
2005年7月-2008年5月,中国科学院上海药物所博士后
2008年5月,华东理工大学药学院教授
2009年3月-6月,美国明尼苏达大学短期访问
2011年11月,上海市新药设计重点实验室副主任
2011年12月,华东理工大学药学学科专业委员会主任
2012年3月,受聘华东理工大学特聘教授
2015年4月,上海市新药设计重点实验室主任
2022年3月,华东师范大学紫江学者特聘教授
2022年6月,LG国家实验室双聘PI
获奖情况、荣誉及主要学术任职:
教育部自然科学一等奖(2020,排名第一)
河南省科技进步二等奖(2019,排名第二)
国家杰出青年基金(2018)
中组部“万人计划”领军人才(2017)
科技部创新人才推进计划“中青年科技创新领军人才”(2015)
中组部“万人计划”青年拔尖人才(2014)
第十三届中国青年科技奖(2013)
国家自然基金委优秀青年科学基金(2012)
第十四届霍英东基金(2013)
上海市五四青年奖章(2013)
上海市“曙光计划”(2013)、
第十六届“明治生命科学奖”(2013)
上海市“青年科技启明星计划”跟踪(2013)
教育部“新世纪优秀人才支持计划”(2010)
上海市“青年科技启明星计划”(2010)
主要学术任职:
上海市新药设计重点实验室主任;
华东理工大学药学学科专业委员会主任;
中国化学会药物化学专业委员会委员;
中国药学会及化学会高级会员;
生物反应器工程国家重点实验室成员;
上海市化学生物学重点实验室成员;
中国药理学会网络药理学专业委员会委员;
中国化学会计算(机)化学专业委员会委员;
中国青年科技工作者协会、生物与医药专委会委员;
中国医药生物技术协会生物医学信息技术分会委员;
《Fundamental Research》编委
《Scientific Reports》编委
《药学学报》编委
《Pharmaceutical Fronts》编委
《Chinese Journal of Chemistry》青年编委
科研情况:
作为课题负责人,先后承担国家重点研发计划(1项)、国家自然科学基金(3项)、国家863计划(2项)、新药创制重大专项(3项)等10余项国家及省部级项目;共同申请并承担自然基金委重点项目(2项);参加973项目、自然基金委重点项目等多项。近期承担的部分科研项目包括:
(1)2021.10 -2023.9,“2021年特异性抗病毒创新药物快速发现软件及化合物库项目”,工信部项目,500万
(2)2022.1-2024.12,“可同时靶向宿主和病毒的抗新冠病毒先导化合物的发现及作用机制研究”,自然基金委原创探索计划项目,项目编号:82150208,合同金额:364万
(3)2020.7-2023.6,“微流控药物筛选芯片设计与评价”,“超限制造”上海市市级科技重大专项子课题,合同金额:3350万
(4)2016.7-2021.6,“蛋白质机器与配体多重对映关系预测技术”,国家重点研发计划课题,课题编号:2016YFA0502304,合同金额:681万
(5)2019.1-2023.12,“药物设计方法与应用”,国家杰出青年科学基金,项目编号:81825020,合同金额:400万
(6)2018.1-2020.12,“考虑靶标大尺度构象变化的分子对接关键技术及治疗急性髓系白血病候选药物(1.1类)SWL-312研究”,国家“重大新药创制”科技重大专项,项目编号:2018ZX09711002-001-009,合同金额:193.55万元。
(7)2018.1-2020.12,“新型第三代EGFR抑制剂ZW-W-33临床前研究”,国家“重大新药创制”科技重大专项,项目编号:2018ZX09711002-011-026,合同金额:332.89万元。
(8)2017.12.28-,第三批万人计划领军人才,合同金额:80万
(9)2013.1-2015.12,“药物设计与药物信息”,国家自然基金优秀青年基金。项目编号:81222046,合同金额:100万
(10)2012.1-2015.12,“靶标发现和药物分子设计关键技术发展和软件产品研发”,国家高技术研究发展计划(863 计划)。项目编号:2012AA020308. 子课题负责人。合同金额:161万
研究兴趣:
李洪林团队主要进行靶标识别和药物发现的计算方法及其应用的交叉学科研究。
针对药物研发的上游中存在的科学问题及难点问题,实验室主要从事药物设计、计算生物学及生物信息学等方面研究,重点开展靶标识别及药物发现相关基础研究工作。本实验室以方法的发展为主线,通过发展方法促进药物发现,以药物发现带动方法发展,验证方法的可靠性和实用性,建立靶标--药物发现一体化研究技术平台。
团队成员来自不同的学科,从事理论、计算、实验相结合的交叉学科研究。团队包括计算药物化学组、合成药物化学组、分子/结构生物学组。通过本团队组内及与其他实验室合作,加强与分子/细胞/结构生物学、药理学、计算机科学等多学科交叉融合,并综合利用上述各种技术,团队各小组协作加快研究速度,发现具有体内/外活性的候选药物,进而完成化合物药理学评价及作用机制的功能确证。
学术研究情况:
已在PNAS、Cancer Res.、Nucl. Acids Res.和J. Med. Chem.等期刊上发表论文发表SCI论文180余篇, SCI论文他引3000余次,应邀参与撰写“十二五”国家重点图书《高等药物化学》及英国剑桥大学出版的本科生教材《Chemical Genomics》等5部专著的部分章节。已申请发明专利105项(已获授权专利50余项),PCT专利32项,获软件版权11项,转让临床前药物6个(5个1类新药,1个2类新药),转让总金额5.4亿元,获临床批件3项,已有2个药物进入临床研究。
部分代表性论文:
1.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
2.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
3.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
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
5.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
6.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) : 546-55
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
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
9.Shiliang Li, Hongling Xu, Shichao Cui, Fangshu Wu, et. al. 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
10.Yongjia Hao, Xia Wang, Tao Zhang, et.al. 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
11.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
12.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
13.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
14. Fang Bai, Yechun Xu, Jing Chen, Qiufeng Liu, Junfeng Gu, 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.
15.Wei Zhou, Xiaofeng Liu, Zhengchao Tu, Lianwen Zhang, Xin Ku, Fang Bai, zhenjiang zhao, Yufang Xu*, 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.
16.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, 7911−7924.
17.Yanyan Diao, Weiqiang Lu, Huangtao Jin, Junsheng Zhu, Le Han, Minghao Xu, Rui Gao, Xu Shen, Zhenjiang Zhao, Xiaofeng Liu, Yufang Xu, 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.
18.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.
19. Weiqiang Lu, Xiaofeng Liu, Xianwen Cao, Mengzhu Xue, Kangdong Liu*, Zhenjiang Zhao, Xu Shen, Hualiang Jiang, Yufang Xu, Jin Huang*, and 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.
20. 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, 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.
21. 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.
22.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. Nucl. Acids Res. 2010, 38: W609–W614.
23. Xiaofeng Liu, Hua Xie*, 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.
24. Honglin Li, Jin Huang, Lili Chen, Jin Zhu, 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, 4936–4940.
25.Honglin Li, Zhenting. Gao, Ling, Kang, Hailei Zhang, Kun Yang, Xiaomin Luo, Kaixian Chen, Jianhua Shen, Xicheng Wang* & Hualiang Jiang*. TarFisDock: a web server for identifying drug targets with docking approach. Nucl. Acids Res. 2006, 34: W219-W224.