AI与小分子药物中心
大健康研究院 副研究员
个人简介:
富炜涛,男,2022年3月博士毕业于浙江大学药学院;2022年4月-2024年3月江苏威凯尔医药科技股份有限公司任计算机辅助药物设计主管;2024年4月加入大健康研究院先进医药与再生医学研究所周荣斌课题组,从事小分子药物开发工作。长期致力于交叉学科的计算机辅助药物设计与药物化学工作,包括抗癌、抗炎、农药等小分子药物设计。参与的项目成果发表在SCI期刊30余篇,其中第一作者6篇(ACS Central Science、Journal of Medicinal Chemistry等)、共同第一作者8篇 (Journal of Chemical Information and Modeling、European Journal of Medicinal Chemistry等)、参与20余篇(PNAS、Nature Communication等)。参与授权的国内专利5项,PCT专利1项。
研究兴趣及方向:
1. 计算机辅助基于受体结构的药物设计
2. 基于分子模拟技术的靶标-配体作用机制与药物发现
3. 基于人工智能技术的药物设计
4. 靶向GPCR的创新药物设计
5. 靶向无菌性炎症的药物研发
代表性工作:
1. Weitao Fu#, Hao Yang#, Chenxian Hu#, Jianing Liao#, Zhou Gong, Minkui Zhang, Shuai Yang, Shangxiang Ye, Yixuan Lei, Rong Sheng, Zhiguo Zhang, Xiaojun Yao, Chun Tang, Dan Li, Tingjun Hou. Small-molecule inhibition of androgen receptor dimerization as a strategy against prostate cancer. ACS Central Science, 2023, 9, 675?684.
2. Weitao Fu#, Ercheng Wang#, Di Ke, Hao Yang, Lingfeng Chen, Jingjing Shao, Xueping Hu, Lei Xu, Na Liu, Tingjun Hou. Discovery of a novel Fusarium Graminearum mitogen-activated protein kinase FgGpmk1 inhibitor for the treatment of Fusarium head blight. Journal of Medicinal Chemistry, 2021, 6418, 13841-13852.
3. Weitao Fu#, Minkui Zhang#, Jianing Liao#, Qing Tang, Yixuan Lei, Zhou Gong, Luhu Shan, Mojie Duan, Xin Chai, Jinping Pang, Chun Tang, Xuwen Wang, Xiaohong Xu, Dan Li, Rong Sheng, Tingjun Hou. Discovery of a novel androgen receptor antagonist manifesting evidence to disrupt the dimerization of ligand-binding domain via attenuating the hydrogen-bonding network between the two monomers. Journal of Medicinal Chemistry, 2021, 6423, 17221-17238.
4. Weitao Fu#, Ningjie Wu#, Di Ke, Yun Chen, Tianming Xu, Guangfei Tang. Discovery of a species-specific novel antifungal compound against Fusarium graminearum through an integrated molecular modeling strategy. Pest Management Science, 2020, 76: 3990-3999.
5. 富炜涛、柯迪、李丹、侯廷军。计算机辅助药物设计技术在雄激素受体动态机制探讨和药物发现中的研究进展。药学进展, 2023, 478, 564-577.
6. Weitao Fu, Lingfeng Chen, Zhe Wang, Yanting Kang, Chao Wu, Qinqin Xia, Zhiguo Liu, Jianmin Zhou, Guang Liang, Yuepiao Cai. Theoretical studies on FGFR isoform ivity of FGFR1/FGFR4 inhibitors by molecular dynamics simulations and free energy calculations, Physical Chemistry Chemical Physics : PCCP, 2017, 195: 3649-3659.
7. Weitao Fu#, Lingfeng Chen#, Zhe Wang, Chengwei Zhao, Gaozhi Chen, Xing Liu, Yuanrong Dai, Yuepiao Cai, Chenglong Li, Jianmin Zhou, Guang Liang. Determination of the binding mode for anti-inflammatory natural product xanthohumol with myeloid differentiation protein 2, Drug design, development and therapy, 2016, 10: 455-463.
8. Ruixiang Luo#, Weitao Fu#, Jingjing Shao#, Lin Ma#, Sujuan Shuai, Ying Xu, Zheng Jiang, Zenghui Ye, Lulu Zheng, Lei Zheng, Jie Yu, Yawen Zhang, Lina Yin, Linglan Tu, Xinting Lv, Jie Li, Guang Liang, Lingfeng Chen. Discovery of a potent and ive allosteric inhibitor targeting the SHP2 tunnel site for RTK-driven cancer treatment. European Journal of Medicinal Chemistry, 2023, 253: 115305.
9. Ercheng Wang#, Weitao Fu#, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou. VAD-MM/GBSA: A variable atomic dielectric MM/GBSA model for improved accuracy in protein-ligand binding free energy calculations. Journal of Chemical Information and Modeling, 2021, 61: 2844-2856.
10. Qin Tang#, Weitao Fu#, Minkui Zhang#, Ercheng Wang, Lvhu Shan, Xin Chai, Jinping Pang, Xuwen Wang, Xiaohong Xu, Lei Xu, Dan Li, Rong Sheng, Tingjun Hou. Novel androgen receptor antagonist identified by structure-based virtual screening, structural optimization, and biological evaluation. European Journal of Medicinal Chemistry, 2020, 192: 112156.
11. Wenfang Zhou#, Mojie Duan#, Weitao Fu#, Jinping Pang, Qin Tang, Huiyong Sun, Lei Xu, Shan Chang, Dan Li, Tingjun Hou. Discovery of novel androgen receptor ligands by structure-based virtual screening and bioassays. Genomics, Proteomics & Bioinformatics, 2018, 166: 416-427.
12. Jiabing Wang#, Di Yun#, Jiali Yao#, Weitao Fu#, Fangyan Huang, Liping Chen, Tao Wei, Cuijuan Yu, Haineng Xu, Xiaoou Zhou, Yanqing Huang, Jianzhang Wu, Peihong Qiu, Wulan Li. Design, synthesis and QSAR study of novel isatin analogues inspired Michael acceptor as potential anticancer compounds. European Journal of Medicinal Chemistry, 2018, 144: 493-503.
13. Rong Jin#, Qiuxiang Chen#, Song Yao#, Encheng Bai#, Weitao Fu#, Ledan Wang, Jiabing Wang, Xiaojing Du, Tao Wei, Haineng Xu, Chengxi Jiang, Peihong Qiu, Jianzhang Wu, Wulan Li, Guang Liang. Synthesis and anti-tumor activity of EF24 analogues as IKKbeta inhibitors. European Journal of Medicinal Chemistry, 2018, 144: 218-228.
14. Lingfeng Chen#, Weitao Fu#, Chen Feng#, Rong Qu, Linjiang Tong, Lulu Zheng, Bo Fang, Yinda Qiu, Jie Hu, Yuepiao Cai, Jianpeng Feng, Hua Xie, Jian Ding, Zhiguo Liu, Guang Liang. Structure-based design and synthesis of 2,4-diaminopyrimidines as EGFR L858R/T790M ive inhibitors for NSCLC. European Journal of Medicinal Chemistry, 2017, 140: 510-527.
15. Shilong Ying#, Xiaojing Du#, Weitao Fu#, Di Yun, Liping Chen, Yuepiao Cai, Qing Xu, Jianzhang Wu, Wulan Li, Guang Liang. Synthesis, biological evaluation, QSAR and molecular dynamics simulation studies of potential fibroblast growth factor receptor 1 inhibitors for the treatment of gastric cancer. European Journal of medicinal chemistry, 2017, 127: 885-899.
16. Qixing Chen, Yang Yang, Jinchao Hou, Qiang Shu, Yixuan Yin, Weitao Fu, Feng Han, Tingjun Hou, Congli Zeng, Elizabeta Nemethe, Rose Linzmeiere, Tomas Ganze, and Xiangming Fang. Increased gene copy number of DEFA1/DEFA3 worsens sepsis by inducing endothelial pyroptosis. PNAS, 2019, 1168: 3161-3170.
17. Lingfeng Chen, Weitao Fu, Lulu Zheng, Zhiguo Liu , Guang Liang. Recent progress of small-molecule epidermal growth factor receptor EGFR inhibitors against C797S resistance in non-small-cell lung cancer. Journal of Medicinal Chemistry, 2018, 6110: 4290-4300.
18. Yi Wang, Yuanyuan Qian, Qilu Fang, Peng Zhong, Weixin Li, Lintao Wang, Weitao Fu, Yali Zhang, Zheng Xu, Xiaokun Li, Guang Liang. Saturated palmitic acid induces myocardial inflammatory injuries through direct binding to TLR4 accessory protein MD2. Nature Communications, 2017, 8: 13997.