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

获奖及荣誉

社会任职

代表性成果

主编专著：

1. 付伟，叶德泳：《计算机辅助药物设计导论》，45万字，2017年，化工出版社，6月发行

2. 参编专著：

付伟，金国章，蒋华良：《脑内多巴胺》，第29章，2万字，2010年11月，上海科技出版社出版

国家级教材主编

1、付伟；《药物设计学》第4版，2022年出版，高等教育出版社，2023年3月出版，65万字

教材参编

2.付伟，李洪林, 郑明月：《人工智能与药物设计》，2023年6月，化学工业出版社

授权专利：

1.  付伟；镇学初；刘慧芳；沈庆；杜鹏，吲哚苯酰胺类衍生物及其药物用途，专利号： ZL 2010 1 0254261.8

2.  付伟；李变，抑制Src非受体酪氨酸激酶的小分子化合物及其药物用途，专利号：ZL 2012 1 0426334.6

3.  付伟；镇学初；沈庆；熊子君；邓欣贤，4-（4-苯基哌嗪基）喹唑啉类衍生物药物用途，专利授权号：ZL 2011 1 0130565.8

4.  付伟；李变；古险峰，2-（喹唑啉-4- 氨基）-5- 噻唑甲酰胺类衍生物及其生物药物用途，ZL 2012 1 0426407.1

5.  付伟；杜鹏，吲哚哌嗪类衍生物的药物用途，专利授权号：ZL 2013 1 0051843.X

6.  付伟；杜鹏、镇学初，苯并氮杂唑类化合物制备方法及用途，专利授权号：ZL 2013 1 0071010.X

7.  付伟；刘景根；沈庆；李炜；徐学军，氨基甲基哌啶类衍生物及其制备方法和药物用途，专利授权号：ZL 2014 1 0625627.6，公开号：CN105646332

8.  付伟；沈庆；李炜；刘景根；徐学军，6-氨基甲基哌啶类衍生物及其制备方法和药;物用途，专利授权号：ZL 2014 1 0182104.9，公开号：CN105017037

9. 付伟，黄火明, 3-(二甲氨基甲基)环己-4-醇衍生物及其制备方法和药物用途, 公开号:CN112759538B

10. 付伟，黄火明, 3-（二甲氨基甲基）哌啶-4-醇衍生物及其制备方法和药物用途, CN112759546A

11. 付伟，黄火明, 3-(二甲氨基甲基)环己-4-醇衍生物及其制备方法和药物用途, 公开号:CN112759544A

12. 付伟，黄火明, 3-(二甲氨基甲基)哌啶-4-醇衍生物制备方法和药物用途,专利授权号：ZL 2019 1 1076965.8， 公开号CN112759545B

13. 付伟，黄火明,3-(二甲氨基甲基)哌啶-4-醇类衍生物及其制备方法和药物用途, 专利授权号： ZL 2019 1 1076925.3，公开号:CN112759587B

14. 付伟；孙囡因；袁聪敏, 一种3,4-二氢异喹啉磺酰胺类化合物及其应用,专利授权号：ZL 201711301652.9，公开号：CN 109896998 B

15. 付伟；孙囡因；一种1,2,3,4-四氢喹啉磺酰胺类化合物及其应用,专利授权号：ZL 201710106749.8，公开号：CN 108503584 B

16. 付伟;彭伟青，：一种吲哚烷基哌嗪苯甲酰胺类化合物及其应用，专利授权号：ZL 2018 1 0494813.9，公开号：CN 110511173 B

17. 付伟；重组夜猴尿酸酶及其应用，申请号：202210185884.7

18. 付伟；-种吲哚烷基哌嗪类化合物及其应用，申请号或专利号：201810496729.0

19. 付伟；一类阿片受体激动剂及其制备方法和药物用途，pct授权号：PCT/CN2020/125799

教学论文：

1. Fu, W*., Li, W., Chen, B., Zhang, J., Xie, Q., Zhou, L., & Zhang, X. (2023). Drug design education in China. Biochemistry and molecular biology education : a bimonthly publication of the International Union of Biochemistry and Molecular Biology, 51(6), 662–669. 教学SCI论文

2. 付伟,李炜,祝晨等.以“学”为中心的药物设计学混合式教学研究[J].药学教育,2021,37(06):47-50.

3. 谢琼，李炜，叶德泳，付伟案例讨论在创新型药物设计学教学实践中的应用[J].药学教育,2014,30(04):40-43.

代表性论著：

1. Xinyi Li，Li Xie，Xiangli Qu，Bangyi Zhao，Wei Fu*, Beili Wu*, Jian Wu*, GPR91, a critical signaling mechanism in modulating pathophysiologic processes in chronic illnesses The FASEB Journal. 2020;34:13091–13105.

2. Huoming Huang, Wenli Wang, Xuejun Xu, Chen Zhu, Yujun Wang, Jinggen Liu, Wei Li, Wei Fu*. Discovery of 3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)-N-phenylpiperidine-1-carboxamide as novel potent analgesic. European Journal of Medicinal Chemistry, 2020, 189: 112070.

3. Wenli Wang#, Lan Zheng#, Wei Li, Chen Zhu, Weiqing Peng, Bing Han,* and Wei Fu*. Design, Synthesis, and Structure–Activity Relationship Studies of Novel Indolyalkylpiperazine Derivatives as Selective 5-HT1A Receptor Agonists. Journal of Chemical Information and Modeling, 2020, 60(1): 235-248.

4. Chen, B., Pan, Z., Mou, M., Zhou, Y., & Fu, W*. (2024). Is fragment-based graph a better graph-based molecular representation for drug design? A comparison study of graph-based models. Computers in biology and medicine,  169, 107811. Advance online publication.

5. Zhang, J., Chen, B., Zhang, C., Sun, N., Huang, X., Wang, W., & Fu, W*. (2023). Modes of action insights from the crystallographic structures of retinoic acid receptor-related orphan receptor-γt (RORγt). European journal of medicinal chemistry, 247, 115039.

6. Shan, B., Hou, H., Zhang, K., Li, R., Shen, C., Chen, Z., Xu, P., Cui, R., Su, Z., Zhang, C., Yang, R., Zhou, G., Liu, Y., Guo, H., Chen, K., Fu, W*., Jiang, H., Zhang, S., & Zheng, M. (2023). Design, Synthesis, and Biological Evaluation of Bipyridazine Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists. Journal of medicinal chemistry, 66(5), 3327–3347.

7. Zhang, Y., Xie, X., Chen, B., Pan, L., Li, J., Wang, W., Wang, J., Tang, R., Huang, Q., Chen, X., Ren, R., Zhang, Z., Fu, W*., & Wang, G. (2023). E674Q (Shanghai APP mutant), a novel amyloid precursor protein mutation, in familial late-onset Alzheimer's disease. Genes & diseases, 11(2), 1022–1034.

8. Chen, C., Lu, T., Chen, P., Li, Z., Yang, Y., Fan, S., Zhang, Y., Chen, K., Fu, W*., Wang, Y., Luo, C., & Zhou, B. (2023). Cyclization strategy leads to highly potent Bromodomain and extra-terminal (BET) Bromodomain inhibitors for the treatment of acute liver injury. European journal of medicinal chemistry, 247, 115023.

9. Hou, L., Hou, Y., Liang, Y., Chen, B., Zhang, X., Wang, Y., Zhou, K., Zhong, T., Long, B., Pang, W., Wang, L., Han, X., Li, L., Xu, C., Gross, I., Gaiddon, C., Fu, W*., Yao, H., & Meng, X. (2022). Anti-tumor effects of P-LPK-CPT, a peptide-camptothecin conjugate, in colorectal cancer. Communications biology, 5(1), 1248. 

10. Xie, P., Zhang, J., Chen, B., Li, X., Zhang, W., Zhu, M., Li, W., Li, J., & Fu, W*. (2022). Computational Methods for Understanding the Selectivity and Signal Transduction Mechanism of Aminomethyl Tetrahydronaphthalene to Opioid Receptors. Molecules (Basel, Switzerland), 27(7), 2173.

11. Liu, X., Jiang, S., Kong, L., Ye, R., Xiao, L., Xu, X., He, Q., Wei, Y., Li, Z., Sun, H., Xie, Q., Xu, X., Lu, Y., Wang, Y., Li, W., Fu, W*., Qiu, Z., Liu, J., & Shao, L. (2021). Exploration of the SAR Connection between Morphinan- and Arylacetamide-Based κ Opioid Receptor (κOR) Agonists Using the Strategy of Bridging. ACS chemical neuroscience, 12(6), 1018–1030.

12. Huang, H., Li, X., Xie, P., Li, X., Xu, X., Qian, Y., Yuan, C., Meng, X., Chai, J., Chen, J., Liu, J., Wang, W., Li, W., Wang, Y., Fu, W*. (2021). Discovery, Structure-Activity Relationship, and Mechanistic Studies of 1-((3R,4S)-3-((Dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2-(2,4,5-trifluorophenyl)ethan-1-one as a Novel Potent Analgesic. Journal of medicinal chemistry, 64(13), 9458–9483.

13.  Peng Xie, Junjie Zhang, Boyu Chen, Xinwei Li, Mengdan Zhu, Wei Li, Jianqi Li, Wei Fu *. Computational Methods for Understanding the Selectivity and Signal Transduction Mechanism of Aminomethyl Tetrahydronaphthalene to Opioid Receptors[J]. Molecules, 2022, 27(7): 2173.

14. Huoming Huang, Xinwei Li, Wei Guo, Chen Zhu, Yuanyuan Qia, Qing Shen, Xuejun X, Wei Li, Yujun Wang, and Wei Fu*. Design, Synthesis, and Structure−Activity Relationship Exploration of Alkyl/Phenylalkyl Piperidine Analogues as Novel Highly Potent and Selective μ Opioid Receptor Agonists[J]. ACS Chemical Neuroscience, 2021, 12(2): 285-299.

15. Xiaojun Ma, Nannan Sun, Xinwei Li, Wei Fu*, Discovery of Novel N-sulfonamide-tetrahydroisoquinolines as Potent Retinoic Acid Receptor-Related Orphan Receptor γt Agonists[J]. European Journal of Medicinal Chemistry,2021,113585, ISSN 0223-5234.

16. Jin-Chang Huang , Yi-Nan Liu, Yun-Hua Tao, Bai-Yu Chen , Chun Lei, Wei Fu ,Jing-Ya Li , Xiao Hu, Ai-Jun Hou ,* Acylphloroglucinol derivatives with ATP citrate lyase inhibitory activities from Syzygium oblatum Wall[J]. Phytochemistry, 2021, 187:112765.

17. Xinyi Li，Li Xie，Xiangli Qu，Bangyi Zhao，Wei Fu*, Beili Wu*, Jian Wu*, GPR91, a critical signaling mechanism in modulating pathophysiologic processes in chronic illnesses The FASEB Journal. 2020;34:13091–13105.

18. Huoming Huang, Wenli Wang, Xuejun Xu, Chen Zhu, Yujun Wang, Jinggen Liu, Wei Li, Wei Fu*. Discovery of 3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)-N-phenylpiperidine-1-carboxamide as novel potent analgesic. European Journal of Medicinal Chemistry, 2020, 189: 112070.

19. Wenli Wang#, Lan Zheng#, Wei Li, Chen Zhu, Weiqing Peng, Bing Han,* and Wei Fu*. Design, Synthesis, and Structure–Activity Relationship Studies of Novel Indolyalkylpiperazine Derivatives as Selective 5-HT1A Receptor Agonists. Journal of Chemical Information and Modeling, 2020, 60(1): 235-248.

20. Nannan Sun#, Xiaojun Ma#, Kaifeng Zhou#, Chen Zhu, Zhonglian Cao, Yonghui Wang, Jun Xu*, Wei Fu*. Discovery of novel N-sulfonamide-tetrahydroquinolines as potent retinoic acid receptor-related orphan receptor γt inverse agonists for the treatment of autoimmune diseases[J]. European Journal of Medicinal Chemistry, 2020, 187: 111984.

21. Chen Zhu, Xinwei Li, Bangyi Zhao, Weiqing Peng, Wei Li, Wei Fu*.Discovery of aryl-piperidine derivatives as potential antipsychotic agents using molecular hybridization strategy[J]. European Journal of Medicinal Chemistry, 2020,193:112214.

22. Bangyi Zhao , Wei Li , Lijie Sun, Wei Fu*，The Use of Computational Approaches in the Discovery and Mechanism Study of Opioid Analgesics, Froteria in Chemistry, 2020, 8, 335

23. Xinyi Li, Li Xie, Xiangli Qu, Bangyi Zhao, Wei Fu*, Beili Wu*, Jian Wu*, GPR91, a Critical Signaling Mechanism in Modulating Pathophysiologic Processes in Chronic Illnesses，The FASEB Journal，2020，34(10):13091-13105

24. Li Xiao, Yujun Wang, Mumei Zhang, Weiwei Wu, Linghui Kong, Yan Ma, Xuejun Xu, Xiao Liu, Qian He, Yuanyuan Qian, Huijiao Sun, Haihao Wu, Cheng Lin, Huoming Huang, Rongrong Ye, Shuang Jiang, Ru-Feng Ye, Congmin Yuan, Shengyang Fang, Dengqi Xue, Xicheng Yang, Hao Chen, Yilin Zheng, Linqian Yu, Qiong Xie, Lan Zheng, Wei Fu, Wei Li*, Zhuibai Qiu, Jinggen Liu*, Liming Shao*. Discovery of a Highly Selective and Potent κ Opioid Receptor Agonist from N?Cyclopropylmethyl-7α-phenyl-6,14endoethanotetrahydronorthebaines with Reduced Central Nervous System (CNS) Side E?ects Navigated by the Message-Address Concept. J. Med. Chem. 2019, 62, 11054?11070.

25. Shuai Gao*,et al. Wei Fu, Wei Lu*, Albumin tailoring fluorescence and photothermal conversion effect of near-infrared-II fluorophore for image-guided cancer photothermal therapy, Nature Communications, 2019,10,2206

26. Jiaojiao Xu, ... Wei Fu, Zeyu Xiao, Wei Lu* et al. , High Affinity of Chlorin e6 to Immunoglobulin G for Intraoperative Fluorescence Image-Guided Cancer Photodynamic and Checkpoint Blockade Therapy, ACS Nano, 2019, 13, 10242

27. Cheng Liu#, Congmin Yuan#, Pinwen Wu#, Chen Zhu, Hao Fang, Lili Wang, Wei Fu*. Computational investigation on the binding modes of Rimonabant analogs with CB1 and CB2. Chem Biol Drug Des, 2018, 92, 1699-1707.

28. Hui-jiao Sun, Yu-hua Wang, Cong-min Yuan, Ling-hui Kong, Xue-jun Xu, Yu-jun Wang, Hai-hao Wu, Cheng Lin, Yuan-yuan Qian, Huo-ming Huang, Li Xiao, Xiao Liu, Qian He, Sheng-yang Fang, Deng-qi Xue, Xi-cheng Yang, Hao Chen, Yi-lin Zheng, Lan Zheng, Lin-qian Yu, Qiong Xie, Wei Fu, Wei Li*, Jing-gen Liu*, Zhui-bai Qiu, Li-ming Shao*. 7β-Methyl substituent is a structural locus associated with activity cli? for nepenthone analogues. Bioorganic & Medicinal Chemistry, 2018, 26, 4254–4263.

29. Congming Yuan#, Haihong Chen#, Nannan Sun#, Xiaojun Ma, Jun Xu and Wei Fu*. Molecular dynamics simulations on RORgammat: insights into its functional agonism and inverse agonism. Acta Pharmacol Sin, 2019, 40(11): 1480-1489.

30. Weili, et al. Wei Fu*, The Pharmacological Heterogeneity of Nepenthone Analogs in Conferring Highly Selective and Potent delta-Opioid Agonistic Activities, ACS Chem. Neurosci., 2017, 8(4),766-776.

31. 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

32. Jingye Zhang, Zining Liu, Peng Lian, Jun Qian, Xinwei Li, Lu Wang, Wei Fu, Liang Chen, Xunbin Wei*, Cong Li*. Selective imaging and cancer cell death via pH switchable near-infrared fluorescence and photothermal effects. Chem. Sci., 2016, 7, 5995–6005.

33. 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

34. 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

35. 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

36. 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

37. 29.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

38. 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

39. 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

40. 32.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

41. Qing Shen, Yuanyuan Qian, Xuejun Xu, Wei Li,*, Jinggen Liu,*, 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

42. Peng Lian, Lili Xu1, Chuanrong Geng1, Yuanyuan Qian1, 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

43. 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

44. 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

45. 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

46. 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 (IF: 8.5)

47. 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

48. 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

49. 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

50. 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

51. 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)

52. 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)

53. 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(SCI, IF: 2.2)

54. 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  (SCI, IF: 4.6)

55. 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(SCI,IF: 4.6)

56. 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)

57. Du Lin, Fu Wei (co-first author), 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 )

58. 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)

59. 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 (SCI)

60. SHEN Qing, LIU Hui-fang, LI Wei, FU Wei*, Modulated interaction of μ/δ opioid receptors and the drug discovery and design strategy, Chinese Pharmacological Bulletin, 2010，26：4-8

61. 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

62. 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: 418–421

63. 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, 1633–1643

64. 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

65. 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

66. Xiaoqin Huang, Hong Liu, Meng Cui, Wei Fu, Kunqian Yu, Kaixian Chen, XiaominLuo, JianhuaShen and Hualiang Jiang, Simulating the Interactions of Toxins with K+ Channels Current Pharmaceutical Design, 2004, 10, 1057-1067

67. Meng Cui, JianhuaShenJ, 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

68. 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

69. 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

70. 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

71.  Wei Fu, JiKangFeng, AiMinRen, 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).

72. Wei Fu, JiKangFeng, KunQian Yu, AiMinRen, 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

73. Wei Fu, FENGJi-Kang，Yu Kun-Qian，REN Ai-Min，CUI Meng, LI Yao-Xian, SUN Chia-Chung “Theoretical study on second-order nonlinear optical properties of unsymmetricbis(phenylethynyl)benzene series derivatives” ，Chinese Journal of Chemistry, 2000,18,No.2, 175-181.

74. Wei Fu, JiKangFeng, AiMinRen, 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

75. 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)

76. 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

77.  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 PolycyclicConjugated Molecules”  Chemical journal of Chinese universities, 2000,21(4),616-619

78. 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.

79.  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 UnsymmetricBis(phenylethynyl) benzenes Series Derivatives” ACTA CHIMICA SINCA, 1999,57,1075-1080. (in Chinese)

80. 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

81. 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)

82. Wei Fu, JikangFeng 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)

83. .Jianjun Liu, JikangFeng, Wei Fu, AiminRen, Guixia Liu, Potential energy Surface of 1CH2+N2O Reaction, Acta Phys. Chim, Sin., 2001, 17(7): 586-593 (in chinese)