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
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
教育部留学归国人员基金评审专家
上海市生物医药智库专家
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
中国药学会麻醉专委会专家
上海市衰老与退行性疾病协会常务理事
中国肝病联盟创始成员
上海市女科学家协会
在中枢神经系统靶向单胺GPCR受体和核受体的精神/神经类疾病及免疫炎症代谢类药物分子设计与发现方面取得一系列重要进展,主要包括:
1. 主要从事药物设计与发现和生物大分子模拟研究。近年来紧扣“新药先导化合物的设计、优化和发现”这条主线，构建了“动态虚拟筛选”新药研究技术体系，提出了“动态结合模式”药物设计新概念，主要针对以GPCR, 核受体为靶点的神经精神系统疾病、自身免疫和代谢性疾病等多个重大疾病领域进行新药创制研究，发现了一批具有深入研究价值的先导化合物。围绕药物分子的优势骨架，发展了一系列具有原始创新的药物设计技术和方法，构建了含有2000个活性分子的多样性“神经精神、镇痛及自身免疫活性分子库”。
2. 发现1.1类全新结构镇痛/麻醉药物候选化合物，已发现超强镇痛活性广谱镇痛候选药物分子，在神经痛和癌痛上显示了强镇痛活性，安全性高。
3. 开发核受体为靶点的自身免疫性疾病候选药物分子，其中靶向RORgt的反向激动剂已完成临床前候选药物实验，完成了皮肤暴露量和皮肤涂抹制剂的开发。
4. 发展人工智能药物设计分子生成算法，小分子药靶运用到镇痛/精神神经及自免药物发现案例中。
5. 首次将结合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。
6. 培养博士后3人，博士生10人，硕士生18人，其中6名硕士获国家奖学金。
1. 国家自然科学基金面上项目，8227130561，“治疗痛风的重组尿酸酶设计与分子机制研究”2023/01 -2026/12.31, 65万元，在研，主持
2.国家自然科学基金面上项目，82073765，“二氢喹啉类RORγt反向激动剂银屑病治疗分子成药性研究”2021/01-2024/12, 55万元，在研，主持
3.国家自然科学基金面上项目，81773635，“芳基氨甲基-哌啶/四氢萘类μ/δ阿片受体双重功效镇痛分子成药性研究”2018/01-2021/12, 48万元，在研，主持
4.国家自然科学基金面上项目：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）；
5.国家自然科学基金面上项目新型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
6. 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
7. 国家自然科学基金-河南联合基金重点项目，1项：新型非环核苷的设计、合成、药理活性及构效关系研究，NSFC--骨干，2017/01-2019/12
8.上海市科委生物医药领域科技支撑专项，20S11902400，“银屑病治疗分子E40的临床前研究”，2019/07-2021/09，2020.10.01-2023.9.30，50万元，主持；
9.上海市科委生物医药领域科技支撑基础重点项目，14431900500，“FW-2-115临床前研究”，2019/07-2021/09，60万元，主持，滚动支持
10.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
11.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
12. 美国Agilent公司大学资助项目，2008年8月-2009年8月，(0557)；主持
13. 国家博士点新教师基金，2008年1月-2010年12月，（20070246092）；主持
14. 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
15.973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
16. 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），学术骨干
2023 复旦大学药学院年终考核优秀
2022 复旦大学药学院年终考核优秀
2021 复旦大学优秀教师
2020 复旦大学药学院年终考核优秀
2020 复旦大学药学院本科教学先进个人
2020 《药物设计学》国家级线上线下一流课程
2019 复旦大学药学院本科教学先进个人
2018 复旦大学药学院院长奖
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
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
2022–现在 上海市衰老与退行性疾病协会常务理事
2021–现在 中国肝病联盟创始成员
2023–现在 上海市女科学家协会会员
2023–现在 中国药学院麻醉专委会
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)
