付伟
药物化学, 教授, 博士生导师

姓      名

 付伟

性      别

 女

职      称

 教授

学      历

 博士

电      话

 +86-21-51980010

传      真

 +86-21-51980010

电子邮件

 wfu@fudan.edu.cn

个人主页

 

通讯地址

  上海市张衡路826号

教育经历 1990.07 – 1994.06 吉林大学化学系 学士
1996.09 – 2001.06 吉林大学理论化学研究所 博士


工作经历 1994.08 - 1996.08 吉林省石油化工研究院 助工
2001.07 -  2003.09 中科院上海药物所 博士后
2003.10 – 2006.09 美国休斯顿大学 博士后
2006.09 -  2006.12 巴塞罗那超级计算中心
2006.12 -  2012.11 复旦大学药学院 副研究员、硕士导师
2012.11 -  至今 复旦大学药学院 教授、博导

 

专家类别NeoTrident第一代面向用户需求计算机辅助药物设计专业委员会专家

职务院长助理

 主要科研贡献
在中枢神经系统靶向单胺GPCR受体精神/神经类疾病药物分子设计与发现方面取得了一系列重要进展,主要包括:
1. 发展了动态药物虚拟筛选新技术,提出了动态结合模式的新概念,设计合成了多巴胺受体、5-羟色胺受体为靶点的新结构类型高活性(nM量级)小分子化合物300余个, 初步揭示了这些小分子化合物对多巴胺受体及5-羟色胺受体的信号转导机制,建立了动态虚拟筛选方法。
2. 首次将分子模拟技术运用到脑靶向药物递送系统的设计和递送机制的研究中,揭示了脑靶向药物递送的分子机制,并运用该递药系统靶向递送自主研发的神经/精神类小分子入脑。
3. 培养博士后3人,博士生2人,硕士生7人,其中3名硕士获国家奖学金。

 

承担科研项目情况
1. 国家自然科学基金面上项目2项:新型D2 拮抗/5-HT1A 激动双重功效抗精神病药物分子设计、合成及药理研究,2012-2015年(81172919);新型D1,D3受体双靶点抗帕金森药物设计、合成及生物活性研究,2015.01-2018.12,(81473136);主持
2. 国家自然科学基金青年基金项目1项:多巴胺D2受体拮抗类双重功效非经典安定剂的分子设计,2008.01-2010.12 (20702009);主持
3. 上海市科技行动计划(生物医药领域科技支撑):以曲马多为先导的μ/δ双重功效阿片受体镇痛新药物分子筛选研究, 2014.7.1-2017.9.30(14431900500);主持
4. 教育部留学归国人员基金,多靶点作用的非经典安定剂分子设计与合成,2010.4-2010.4;主持
5. 美国Agilent公司大学资助项目,2008年8月-2009年8月,(0557);主持
6. 国家博士点新教师基金,2008年1月-2010年12月,(20070246092);主持
7. 上海市卫生局项目,阿片受体κ亚型选择性配基的分子设计、合成研究, 2008年1月-2009年12月(2007089);主持
8. 973计划,内源性代谢产物H2S对心脏细胞离子通道和血管新生通路的调控机制,2010.1-2014.8(2010CB912601),学术骨干
9. 863计划,基于活性小分子筛选与功能探索的新药研发信息整合系统,(2009AA02Z308),一般学术骨干

 

获奖及荣誉
2014.08      中国药学会科技进步奖二等奖(第七完成人)
2012          《药物设计学》上海市精品课程团队
2005.02      美国德克萨斯州-英国联合研究组织第五届McLaughlin传染及免疫会议, 旅行奖,第一
2006.05      第十一届结构生物学年会最佳工作成果展示奖,(UTMB),第一
2005.04      南德克萨斯大学夏季学士培训的“模范领导”称号
2003.08      上海市第九届科技论文大奖赛二等奖,第一

 
社会任职

2013.05 – 现在     美国化学会会员
2012. –  2014        教育部留学归国人员基金评审启动专家
2013   – 现在         Elsevier旗下SCI期刊Chemical Biology & Drug Design杂志编辑
2015. 01  -  现在    《复旦学报》编辑
2012   -   现在        中国化学会会员
2012  -    现在        第一届面向用户需求的CADD产品专家

 

科研成果

教材/专著
1、参编专著:付伟、金国章、蒋华良,专著《脑内多巴胺》第29章,撰写2万字,2010年11月,上海科技出版社出版。
2、参编教材:付伟《药物设计学》2015,印刷中,第3章,撰写7万字,高等教育出版社,教材
3、主编教材/教材参考书:付伟《计算机辅助药物设计导论》,2015,已签订合同,共46万字,化工出版社,教材参考书

 
代表性论著
1. Peng Lian, LinLang Li, Chuanrong Geng, Xuechu Zhen, Wei Fu*, Novel potent 5-HT1AR agonists discovery based on a dynamical binding mode strategy, J. Chem. Info. Modeling, 2015, 55(8): 1616-1627
2. Xinxian Deng, Lin Guo, Lili Xu, Xuechu Zhen, Kunqian Yu, Weili Zhao, Wei Fu*, Discovery of Novel Potent and Selective Ligands for 5-HT2A Receptor with Quinazoline Scaffold, 2015, Bioorganic & Medicinal Chemistry Letters, 2015, 25 (18): 3970-3974
3. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li*, Jinggen Liu*, Wei Fu*, Discovery of Potent and Selectiveδ OpioidAgonists Derived from Tramadol, 2015,ACS Med. Chem. Letter, 2015, in press
4. Xiaoli Wei, Changyou Zhan, Qing Shen,Wei Fu, Cao Xie, Jie Gao, Chunmei Peng, Ping Zheng, and Weiyue Lu, Angew Chem. Int. Ed. 2015, 54: 3023-3027
5. Changyou Zhan, Bian Li, Luojuan Hu, Xiaoli Wei, LinyinFeng, Wei Fu*, Weiyue Lu* ,Micelle-Based Brain-Targeted Drug Delivery Enabled by a Nicotine Acetylcholine Receptor Ligand, Angew. Chem. Int. Ed.2011, 50, 5482-5485 (hot paper, highlight by Science Business Exchange)
6. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li,*, Jinggen Liu2,*, Wei Fu*, Design, synthesis and biological evaluation of N-phenylalkyl-substituted tramadol derivatives as novel μ opioid receptor ligands, Acta Pharmacologica Sinica, 2015, 36: 887-894
7. Yuan Zhao, Zhengtian Yu*, Wei Fu*, Conformational Preferences of π–π Stacking Between Ligand and Protein: Analysis Derived from Crystal Structure Data Geometric Preference of π–π Interaction", Interdisciplinary Sciences:Computational Life Sciences,2015, in press (DOI: 10.1007/s12539-015-0263-z,
8. Peng Lian, Lili Xu, Chuanrong Geng, Yuanyuan Qian, Wei Li*, Xuechu Zhen* and Wei Fu*, A Computational Perspective on Drug Discovery and Signal Transduction Mechanism of Dopamine and Serotonin Receptors in the Treatment of Schizophrenia. , Curr. Pharm. Biotech., 2014, 15, 916-926
9. Lili Xu, Shanglin Zhou, Kunqian Yu, Bo Gao,Hualiang Jiang,*Xuechu Zhen,*Wei Fu*, Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists viaDynamic Pharmacophore-Based Virtual Screening, J. Chem. Info. Modeling, 2013, 53, 3202 3211
10. Wei Fu, JianhuaShen, XiaominLuo, Weiliang Zhu, Jiagao Cheng, Kaixian Chen, Guozhang Jin and Hualiang Jiang, Dopamine D1 Receptor Agonist and D2 Receptor Antagonist Dual Effects of Natural Product (-)-Stepholidine (SPD): Molecular Modeling and Dynamics Simulations, Biophys. J. 2007, 93: 1431-1441 
11. Zijun Xiong, Lili Xu, Lin Guo, Xuechu Zhen*, Wei Fu*, Synthesis, Preliminary Pharmacological Evaluation and Receptor Docking Studies Of 10-Amino-3-Methoxy-6,8,12,12a-Tetrahydro-5HThiazolo[4',5':4,5]Pyrido[2,1-A]Isoquinolin-2-Ols As Novel Dopamine D1 Receptor Inhibitors, VRI Biol. Med. Chem, 2013, 1, 38-50
12. Bian Li, Lili Xu, Qing Shen, Xianfeng Gu*, Wei Fu*, Discovery of Novel Small Molecule Src Kinase Inhibitors via a Kinase-focused Drug-likeness Rule and Structure-based Virtual Screening, Molecular Simulation, 2014, 40, 341-348
13. Bei-Bei Tao, Shu-Yuan Liu, Cai-Cai Zhang, Wei Fu, Wen-Jie Cai, Yi Wang, Qing Shen, Ming-Jie Wang,Ying Chen, Li-Jia Zhang, Yi-Zhun Zhu, and Yi-Chun Zhu*,VEGFR2 Functions As an H2S-Targeting Receptor Protein Kinase with Its Novel Cys1045–Cys1024 Disulfide Bond Serving As a Specific Molecular Switch for Hydrogen Sulfide Actions in Vascular Endothelial Cells, Antioxidants & Redox Signaling,2014,71,3219-3139
14. Du Peng,Lili Xu, Jiye Huang, Kunqian Yu, Rui Zhao, Bo Gao, Hualiang Jiang, Weili Zhao, Xuechu Zhen*,Wei Fu*,Design, Synthesis and Evaluation of Indolebutylaminesas a Novel Class of Selective Dopamine D3 Receptor Ligands, Chem Biol. Drug Design, 2013, 82, 326-335
15. Bian Li; Wei Li; Peng Du; Kunqian Yu; Wei Fu*, Molecular Insights into the D1R Agonist and D2R/D3R Antagonist Effects of the Natural Product (-)-Stepholidine: Molecular Modeling and Dynamics Simulations, J. Phys. Chem. B, 2012, 116, 8121-8130
16. Huifang Liu, Jian Chen, Qing Shen, Wei Fu* and Wei Wu, Molecular Insights on the Cyclic Peptide Nanotube-Mediated Transportation of Antitumor Drug 5-Fluorouracil,Molecular Pharmaceutics, 2010,7 ( 6), 1985–1994
17. Liu Hui-fang, Shen Qing, Zhang Jian, FuWei , Evaluation of various inverse docking schemes in multiple targets identification, J Mol Graph Model. 2010,29 , 326–330
18. Wei Fu, Meng Cui, James M. Briggs, Xiaoqin Huang, Bing Xiong, Yingmin Zhang, XiaominLuo, JianhuaShen,  RuyunJi, Hualiang Jiang, Kaixian Chen,  Brownian Dynamics Simulations of the Recognition of the Scorpion Toxin Maurotoxin with the Voltage-gated Potassium Ion Channels, Biophys. J., 2002, 83 (5), 2370
19. Kunqin Yu, Wei Fu Hong Liu, Xiaomin Luo, Kaixian Chen, Jian Ding, Jianhua Shen, Hualiang Jian, Computational simulations of interactions of scorpion toxins with the voltage-gated potassium ion channel. Biophys J. 2004 Jun;86(6):3542-55.
20. Du LinII, LiuHong-ChunII,Fu WeiII, Li De-Hai, PanQiu-Ming, Zhu Tian-Jiao, Geng Mei-Yu, Gu, Qian-Qun, Unprecedented Citrinin Trimer Tricitinol B Functions as a Novel Topoisomerase IIα Inhibitor, J. Med. Chem., 2011, 54, 5796-5810, (co-first author )
21. Yunguo Gong, Wei Fu*, Kaixian Chen*, Dopamine D1 receptor and serotonin 5-HT1A receptor agonist effects of the natural product (–)-stepholidine: molecular modelling and dynamics simulations, Molecular Simulation, 2012, 38(12),970-979
22. Wei Li, Li-li Xu, Qiong Xie, Yan Chen, Mei-yan Lu, Bo Chao, Xing-hai Wang, Yun Tang, Zhui-bai Qiu, Wei Fu*, Choiwan Lau*, “Theoretical and NMR Investigations on the Conformations of (-)-Meptazinol Hydrochloride in Solution”,Molecular Simulation, 2013, 1-5
 

 

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