Dr. Wei Fu obtained her Ph.D. in computational chemistry from Jilin University in 2001. Thereafter, she worked as a postdoctoral fellow in Shanghai institute of Materia Medica, University of Houston and Barcelona Supercomputing Center, respectively. She was awarded as an "outstanding young scientist" by Shanghai institute of Materia Medica in 2002. Dr. Fu joined the faculty of School of Pharmacy, Fudan university in 2006 and built a center for molecular modeling and design. She was appointed as an assistant dean, School of Pharmacy, Fudan University in 2015. She is also an editorial board member of Chemical Biology and Drug Design.
Drug design and synthesis; Molecular simulation; GPCR; Analgesic; Anti-inflammatory immunity
Education
1. Dec 2012-Present Professor, Medicinal chemistry, Fudan university, Shanghai.
2. Dec 2006-Dec 2012 Associate Professor, medicinal chemistry. Fudan university, Shanghai.
3. Sep 2006-Dec 2006 Visiting Scholar, Computational Biology, Barcelona Supercomputing Center, Spain
4. Oct 2003-Sep 2006 Postdoctoral fellow, Computational Biology, Department of Biology and Biochemistry, University of Houston, TX, USA
5. Jul 2001-Sep 2003 Postdoctoral fellow, Computational Biology, State Key Laboratory of Drug Research, Shanghai Institute of Meteria Medica, Chinese Academy of Sciences
6. Sep 1996-Jul 2001 Ph.D.Institute of Theoretical Chemistry, Jilin University, Physical Chemistry
7. Aug 1994-Jul 1996 Assistant Engineer, Oil Chemical Industry Design and Research Institute of Jilin province, Changchun, China.
8. Sep 1990-Jul 1994 B.S., Organic Chemistry, Dept. of Chemistry, Jilin University
Professional Experiences
Computational approach to biochemical and biophysical problems.
Drug design, synthesis and biological assay
Drug design and discovery on aminergic GPCR
Opiold-like Analgesic discovery
Discovery of ROR?t modulators
Molecular design, synthesis and action mechanism studies on novel anti-psychotic agents
Teaching Activities
Undergraduate courses:Drug Design; organic synthesis
Graduate courses: “Molecular Modeling for biomacromolecules” (open by myself; for master candidate); “Computational chemistry & Molecular Simulation” (open by myself; for Ph.D. candidate)
Grants & Projects
1. The Druggability Study of Dual μ/δ Functional Opioid Analgesics with Arylaminomethyl-piperidine/tetrahydronaphthalene Scaffolds, NSFC 81773635, Jan. 2018 –Dec. 2021
2. Molecular design, synthesis and pharmacological study on novel anti-parkinson’s agents targeted on D1 and D3 receptors, NSFC 81473136, Jan. 2015- Dec. 2018
3. Molecular design, synthesis and pharmacological studies on anti-psychotic drug molecules with dual actions of D2 antagonist/5-HT1A agonist, NSFC 81172919，Jan. 2012 –Dec. 2015
4. Tramadol based Analgesic discovery with μ/δ opioid activities , Shanghai Science and Technology Development Funds 14431900500
5. The molecular design of atypical neuroleptics with D2 antagonistic activity. NSFC, 20702009，Jan. 2008 –Dec., 2010
6. Molecular design on novel atypical neuroleptics. The Ministry of Education of China, 20070246092，Jan. 2008 –Dec. 2010
7. Design and synthesis of selective ? opiold recptor, Shanghai Municipal Health Bureau 2007089, Jan. 2008 –Dec. 2009
8. A new strategy for investigating effect of compounds in protein-protein network, Agilent foundation, 0557, Aug. 2008-Aug. 2009
9. The molecular design and synthesis of atypical neuroleptics with multiple targets, the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry
Awards & Honors
1. “Scientific and Technical Awards”, Chinese Pharmaceutical Association, Second Award, Aug. 2014, China
2. “Poster award” 11th Annual Structural Biology Symposium, UTMB, Galveston, TX, May 19-20, 2006, USA
3. “Travel award” The Fifth McLaughlin Symposia in Infection & Immunity. The Texas-United Kingdom Collaborative
a) Research Initiative. UTMB, Galveston, TX, February 25-27, 2005, USA
4. ”The leadership award” NASA Environmental Science Internship Program, Texas Southern University –Summer 2005, USA
5. Second Place Award for “Shanghai’s excellent science and technology paper”, Shanghai, China 2003
6. ”Excellent science and technology researcher” Shanghai Institute of Meteria Medica, China 2002
7. First Place Award for “outstanding person” Cup Dissertation Contest, Jilin University, China 2001
8. Second Place Award for “outstanding person” Cup Dissertation Contest, Jilin University, China 2000
9. Third Place Award for “outstanding person” Cup Dissertation Contest, Jilin University, China1999
10. Scholarship from Jilin university in 1997-1999 China
11. Scholarship from Jilin university in 1994 China
Memberships
Editor in Chemical Biology and Drug Design
Editor in VRI Biol. Med. Chem.
Chinese Chemical Society
American Chemical Society
Invited Presentations
1. The 9th International Conference on Molecular Simulations and Informatics Technology Application, 2018
2. The 8th International Conference on Molecular Simulations and Informatics Technology Application, 2017
3. The 7th International Conference on Molecular Simulations and Informatics Technology Application, 2016
4. The 6th International Conference on Molecular Simulations and Informatics Technology Application, 2015
5. The 5th International Conference on Molecular Simulations and Informatics Technology Application, 2014
6. The 4th International Conference on Molecular Simulations and Informatics Technology Application, 2013
7. The 3th International Conference on Molecular Simulations and Informatics Technology Application, 2012
8. 9th International Symposium for Chinese Medicinal Chemists, ISCMC2014
9. 10th International Symposium for Chinese Medicinal Chemists, ISCMC2016
10. 11th International Symposium for Chinese Medicinal Chemists, ISCMC2017
11. CMCS 2015 & 5th CPA-RSC Symposium on Medicinal Chemistry
12. 2017 CPA-EFMC International Symposium on Medicinal Chemistry, CPA-EFMC ISMC2017
13. The 13th Chinese computer chemistry conference,2015
14. The 14th Chinese computer chemistry conference, 2017
15. Protein structure and function --- Computational simulation symposium, 2015
16. 4th International Conference on Molecular Simulation, ICMS 2016
Selected Publications
1. Cheng Liu, Congmin Yuan, Lili Wang, Wei Fu*, Computational investigation on the binding modes of Rimonabant analogues with CB1 and CB2, CBDD, 2018, accepted
2. Weili, et al. Wei Fu*, The Pharmacological Heterogeneity of Nepenthone Analogs in Conferring Highly Selective and Potent ?-Opioid Agonistic Activities, ACS Chem. Neurosci., 2017, 8(4),766-776
3. Peng Lian, Congmin Yuan, Qin Xu, Wei Fu*, Thermostability Mechanism for the Hyperthermophilicity of Extremophile Cellulase TmCel12A: Implied from Molecular Dynamics Simulation, J. Phys. Chem. B, 2016, 120, 7346
4. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li*, Jinggen Liu*, Wei Fu*, Discovery of Potent and Selective δ OpioidAgonists Derived from Tramadol, ACS Med. Chem. Letter, 2016, 7 (4): 391–396
5. Wei Li, Li Zhang Lili Xu, Congmin Yuan, Peng Du, Jiaojiao Chen, Xuechu Zhen, Wei Fu*, Functional reversal of (-)-Stepholidine analogues by replacement of benzazepine substructure using the ring-expansion strategy, Chem. Biol.& Drug Design, 2016, 88, 599
6. Peng Ji, Congmin Yuan, Shuhua Ma, Junchao Fan, Wei Fu*, Chunhua Qiao*, 4-Carbonyl-2,6-dibenzylidenecyclohexanone derivatives as small molecule inhibitors of STAT3 signaling pathway , Bioor. Med. Chem. 24 (2016) 6174–6182
7. Zhao Yuan, Fu Wei*, Yu Zhengtian*, "Conformational Preferences of π-π Stacking Between Ligand and Protein, Analysis Derived from Crystal Structure Data Geometric Preference of π-π Interaction.", in Interdiscip Sci. (2015) 7(3): 211-20
8. Xiaoli Wei, Changyou Zhan, Qing Shen,Wei Fu, Cao Xie, Jie Gao, Chunmei Peng, Ping Zheng, and Weiyue Lu, D-Peptide Ligand of Nicotine Acetylcholine Receptors for Brain-Targeted Drug Delivery， Angew Chem. Int. Ed. 2015, 54: 3023-3027
9. 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
10. 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
11. 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
12. 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
13. 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
14. 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
15. 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, ARS, 2014，71，3219-3139
16. 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
17. 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
18. 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
19. 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, IF: 12.73)
20. 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(SCI, IF: 5.4)
Patents
8 patents were granted
1. Wei Fu, Xuechun Zhen, Huifang Liu, Qing Shen, Peng Du, Pharmaceutical use of indolebenzamide derivatives. ZL 2010 1 0254261.8
2. Wei Fu, Bian Li, Pharmaceutical use of non-receptor tyrosine kinase Src inhibitors. ZL 2012 1 0426334.6
3. Wei Fu, Xuechu Zhen, Qing Shen, Zijun Xiong, Xinxian Deng, Pharmaceutical use of 4-(4-phenylpiperazin-1-yl)quinazoline derivatives. ZL 2011 1 0130565.8
4. Wei Fu, Bian Li, Xianfeng Gu, Pharmaceutical use of 2-(quinazolin-4-ylamino)thiazole-5-carboxamide derivatives. ZL 2012 1 0426407.1
5. Wei Fu, Peng Du，Pharmaceutical use of indolepiperazine derivatives. ZL 2013 1 0051843.X
6. Wei Fu, Peng Du, Xuechu Zhen, Preparation and use of benzazepine derivatives. ZL 2013 1 0071010.X
7. Wei Fu, Qing Shen, Wei Li, Jinggen Liu, Xuejun Xu, 6-arylaminomethyltetrahydronaphthalene derivatives and its salt. ZL 2014 1 0182104.9
8. Wei Fu, Jinggen Liu, Qing Shen, Wei Li, Xuejun Xu, Preparation and pharmaceutical use of aminomethylpiperidine derivatives. 201410625627.6
