2015

  • 1. Xiaoli Wei, Changyou Zhan, Qing Shen,Wei Fu, Cao Xie, Jie Gao, Chunmei Peng, Ping Zheng, and Weiyue Lu, A d-Peptide Ligand of Nicotine Acetylcholine Receptors for Brain-Targeted Drug Delivery Angew Chem. Int. Ed.,2015, 54: 3023-3027
  • 2. Peng Lian, LinLang Li, Chuanrong Geng, Xuechu Zhen, Wei Fu*, Higher-Affinity Agonists of 5-HT1AR Discovered through Tuning the Binding-Site Flexibility, J. Chem. Info. Modeling , 2015, 55(8): 1616-1627
  • 3. 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,Bioorganic & Medicinal Chemistry Letters, 2015, 25 (18): 3970-3974
  • 4. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li*, Jinggen Liu*, Wei Fu*, Discovery of Potent and Selective    Opioid Agonists Derived from Tramadol, ACS Med. Chem. Letter , 2015, in press
  • 5. 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    opioid receptor ligands, Acta Pharmacologica Sinica, 2015, 36: 887-894
  • 6. Yuan Zhao, Zhengtian Yu*, Wei Fu*, Conformational Preferences of  C   Stacking Between Ligand and Protein: Analysis Derived from Crystal Structure Data Geometric Preference of  C   Interaction, Interdisciplinary Sciences:Computational Life Sciences   2015, in press (DOI: 10.1007/s12539-015-0263-z)

    2013-2014

  • 1. Peng Lian, Lili Xu1, Chuanrong Geng1, Yuanyuan Qian1, Wei Li1*, Xuechu Zhen2* 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
  • 2. 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 via Dynamic Pharmacophore-Based Virtual Screening, J. Chem. Info. Modeling, 2013, 53, 3202 3211
  • 3. 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
  • 4. 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
  • 5. 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 CCys1024 Disulfide Bond Serving As a Specific Molecular Switch for Hydrogen Sulfide Actions in Vascular Endothelial Cells, ARS, 2013, in press (IF: 8.5)
  • 6. 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 Indolebutylamines as a Novel Class of Selective Dopamine D3 Receptor Ligands, Chem Biol. Drug Design, 2013, 82, 326-335
  • 7. 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
  • 2011-2012

  • 1. Yunguo Gong, Wei Fu*, Kaixian Chen*, Dopamine D1 receptor and serotonin 5-HT1A receptor agonist effects of the natural product ( C)-stepholidine: molecular modelling and dynamics simulations, Molecular Simulation, 2012, 38(12),970-979
  • 2. 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
  • 3. Changyou Zhan, Bian Li, Luojuan Hu, Xiaoli Wei, Linyin Feng, 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)
  • 4. Du LinII, Liu Hong-ChunII, Fu WeiII, Li De-Hai, Pan Qiu-Ming, Zhu Tian-Jiao, Geng Mei-Yu, Gu, Qian-Qun, Unprecedented Citrinin Trimer Tricitinol B Functions as a Novel Topoisomerase II   Inhibitor, J. Med. Chem., 2011, 54, 5796-5810, (co-first author  IF: 5.207 )
  • 5. Xinxian Deng, Qing Shen, Lili Xu, Zijun Xiong, Weili Zhao, Xuechu Zhen, Wei Fu*, Discovery of a Novel Dopamine D3 Receptor Inhibitor, Chem. J. Chinese Univ. 2011, 32(8): 1783-1788 (SCI, IF: 0.656)
  • 6. Zijun Xiong, Peng Du, Bian Li, Lili Xu, Xuechu Zhen, Wei Fu*, Discovery of a Novel 5-HT2A Antagonist by Pharmacophore-Based Virtual Screening. Chemical Research in Chinese Universities, 2011  27(4), 655-660 (IF: 0.46)
  • 7. SHEN Qing, LIU Hui-fang, LI Wei, FU Wei* Modulated interaction of   /   opioid receptors and the drug discovery and design strategy, Chinese Pharmacological Bulletin, 2010  26  4-8
  • 2009-2010

  • 1. 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 C1994 (SCI, IF: 5.4)
  • 2. Liu Hui-fang, Shen Qing, Zhang Jian, Fu Wei , Evaluation of various inverse docking schemes in multiple targets identification, J Mol Graph Model. 2010, 29 , 326 C330 (SCI, IF: 2.2)
  • 3. Wei Li , Yi-Min Tao, Yun Tang, Xue-Jun Xu, Jie Chen, Wei Fu, Xing-Hai Wang, Bo Chao, Wei Sheng, Qiong Xie, Zhui-Bai Qiu,*, Jing-Gen Liu, Highly selective and potent mu opioid ligands by unexpected substituent on morphine skeleton, BMCL, 2010, 20: 418 C421
  • 4. Yaxue Zha, Xuefeng Lu,| Chao-yie Yang, Zhimin Huang, Wei Fu, Tingjun Hou, and Jian Zhang, Computational Modeling Toward Understanding Agonist Binding on Dopamine 3, J. Chem. Inf. Model. 2010, 50, 1633 C1643
  • 5. Aviv Paz, Qiong Xie, Harry M. Greenblatt, Wei Fu, Yun Tang, Israel Silman, Zhuibai Qiu, and Joel L. Sussman  The Crystal Structure of a Complex of Acetylcholinesterase with a Bis-(#)-nor-meptazinol Derivative Reveals Disruption of the Catalytic Triad, J. Med. Chem., 2009, 52 (8), 2543-2549
  • 2007-2008

  • 1. Wei Fu, Jianhua Shen, Xiaomin Luo, 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 (SCI, IF: 4.6)
  • 2. LIU Hui-Fang, FU Wei*, JIN Guozhang, Action mechanism of atypical antipsychotics and vista of drug discovery, Chinese Journal of Pharmacology and Toxicology, 2008, 22,(6):470-476
  • 3. Q. Xie, H. Wang, Z. Xia, M. Lu, W. Zhang, X. Wang, W. Fu, Y. Tang, W. Sheng, W. Li, W. Zhou, X. Zhu, Z. Qiu and H. Chen, J. Med. Chem. 51 (2008), p. 2027
  • < 2007

  • 1. Wei Fu, Meng Cui, James M. Briggs, Xiaoqin Huang, Bing Xiong, Yingmin Zhang, Xiaomin Luo, Jianhua Shen, Ruyun Ji, 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 (SCI, IF: 4.6)
  • 2. 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. (IF: 4.6)
  • 3. Xiaoqin Huang, Hong Liu, Meng Cui, Wei Fu, Kunqian Yu, Kaixian Chen, Xiaomin Luo, Jianhua Shen and Hualiang Jiang, Simulating the Interactions of Toxins with K+ Channels Current Pharmaceutical Design, 2004, 10, 1057-1067
  • 4. Meng Cui, Jianhua ShenJ, James Briggs, Wei Fu, Hualiang Jiang, Chen K. Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels. J Mol Biol. 2002, 318(2):417-28
  • 5. Wei Fu, Ji-Kang Feng, Ge-Bo Pan, Xiang Zhang, Ai-Min Ren, Calculations on the Electronic Structures and Nonlinear Second-order Optical Susceptibilities of Spiroannelated Quinone-type Methanofullerenes, Theoretical Chemistry Accounts, 2001,106, 241-250
  • 6. Wei Fu, Ji-Kang Feng, Calculations on the Electronic Structure and Nonlinear Second-order Susceptibilities of Fulleropyrrolidine/Tetrathiafulvalene(C60PY/TTF) Based on Donor-Bridge-Acceptor Dyads, Can. J. Chem, 2001, 79, 1366-1375
  • 7. Wei Fu, Ji-Kang Feng, Ge-Bo Pan, Ai-Min Ren ,   Theoretical study on the third-order nonlinear optical properties of a serials of derived 9,9  -spiro-bifluorenes  , Journal of Molecular Structure (Theochem), 2001, 545, 157-165
  • 8. Wei Fu, JiKang Feng, AiMin Ren, Yao-Xian Li,   Nonlinearity Enhancement by Proton Transfer: A new Strategy for the Design of Nonlinear Optical Materials. ACTA CHIMICA SINCA, 2001, 22(11): 1869-1872 (in chinese).
  • 9. Wei Fu, JiKang Feng, KunQian Yu, AiMin Ren, ChiaChung Sun,   Theoretical studies of molecules with NLO properties on push-pull multi-cycle electro-optical polymer intermediates including thiophene ring   Chinese Journal of Chemistry, 2000,18,820-827
  • 10. Wei Fu,FENG Ji-Kang  Yu Kun-Qian  REN Ai-Min  CUI Meng, LI Yao-Xian, SUN Chia-Chung   Theoretical study on second-order nonlinear optical properties of unsymmetric bis(phenylethynyl)benzene series derivatives     Chinese Journal of Chemistry, 2000,18,No.2, 175-181.
  • 11. Wei Fu, JiKang Feng, AiMin Ren, ChiaChung Sun,   Theoretical Study on The Device of Molecules with First Hyperpolarizabilities on a Serials of Babituric Acid and its Derivatives, Chinese Journal of Chemistry, 2000,21,1892-1895
  • 12. FENG Ji-Kang, Wei Fu, CUI Meng, SU Zong-Min, REN Ai-Min,   Calculations on the Electronic Structure and Nonlinear Second-order Susceptibility of Fullerene/Ferrocene Based Donor-Bridge-Acceptor Dyads  , ACTA CHIMICA SINCA, 2000,58,1112-1119. (in chinese)
  • 13. Wei Fu, FENG Ji-Kang , REN Ai-Min , CUI Meng , JIN Hong-Wei, WANG Jiang-Hong, SHEN Yu-Quan,   Theoretical studies of molecules with nonlinear optical third-order susceptibilities on pull-push multi-cycle electro-optical polymer intermediates including thiophene-ring   Chemical journal of Chinese universities, 2000,21(5),771-775
  • 14. Wei Fu  FENG Ji-Kang   REN Ai-Min   SUN Xiu-Yun,JIN Hong-Wei,   Theoretical Study on Second-order Nonlinear Optical Properties of a Serial of Novel Push-pull Polycyclic Conjugated Molecules   Chemical journal of Chinese universities, 2000,21(4),616-619
  • 15. Wei Fu, FENG Ji-Kang   REN Ai-Min  CUI Meng, SUN Xiu-Yun, LI Yao-Xian,   A Theoretical Study on Nonlinear Second-order Optical Properties of p-Nitro bis(phenylethynyl) benzene series derivatives   Chemical journal of Chinese universities, 1999,20(9),1424-1428.
  • 16. Wei Fu, FENG Ji-Kang   REN Ai-Min  CUI Meng, SUN Xiu-Yun, LI Yao-Xian,   A ZINDO-SOS Study on Nonlinear Second-order Optical Properties of Unsymmetric Bis(phenylethynyl) benzenes Series Derivatives   ACTA CHIMICA SINCA, 1999,57,1075-1080. (in Chinese)
  • 17. Wei Fu, FENG Ji-Kang, REN Ai-Min, SUN Xiu-Yun,JIN Hong-Wei, WANG Jiang-Hong , SHEN Yu-Quan,   Theoretical studies with nonlinear optical third-order susceptibilities and designment of molecules on some organic NLO materials   Chinese J. Struct. Chem. 2000,19(1)57-64
  • 18. Li Yao-Xian, Liu Fu-An, Wei Fu, et al.   Synthesis N-C60 aniline by using micro irradtation   J. Mol. Science, 1995, 11(3), 4. (in Chinese)
  • 19. Wei Fu, Jikang Feng and Gebo Pan   Nonlinearity Enhancement by proton transfer: A new strategy for the design of nolinear optical materials, Chemical journal of Chinese universities, 2001,22(11),1869-1872 (in chinese)
  • 20. Jianjun Liu, Jikang Feng, Wei Fu, Aimin Ren, Guixia Liu, Potential energy Surface of 1CH2+N2O Reaction, Acta Phys. Chim, Sin., 2001, 17(7): 586-593 (in chinese)
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