白芳(上海科技大學助理教授)

人物經歷

2004/09—2009/07，大連理工大學，雙學士
2009/09—2014/05，上海藥物研究所/大連理工大學聯合培養，博士
2014/08—2019/05，美國萊斯大學，博士後
2019/05—2019/09，美國德克薩斯大學休斯敦健康科學醫學中心，助理教授
2019/10，上海科技大學，生命科學與技術學院，助理教授（TENURE-TRACK）

研究方向

藥物設計；計算生物學；理論生物物理。主要通過結合計算機輔助藥物設計、理論生物物理、分子生物學與細胞生物學等方法探索與設計藥物設計新方法。

特別側重於以下方向：

1.結合人工智慧算法，發展新型藥物設計方法：諸如藥物靶標預測方法、成藥性位點預測方法，藥物分子設計與評價方法、蛋白質-蛋白質互作調控分子，特別是新分子實體(如分子膠水和靶標嵌合體等降解劑分子)的設計方法、蛋白質構象採樣和肽分子設計等方法。

2.針對重大疾病，如高發性癌症與重大傳染性疾病，採用上述方法開展候選治療介質的設計研究。

主要成就

課題組以發展藥物設計新方法為主，並致力於新藥設計與藥物作用靶標發現及機制研究等套用課題，發展了多種藥物設計和計算生物學新方法，為藥物靶標發現、先導化合物發現和最佳化等研究開發了多個計算方法與軟體；同時，在藥物設計、藥物作用機制、藥物靶標發現等研究中，與中國、美國和以色列的多個團隊開展合作，取得了一系列研究成果，先後在Science、PNAS、Nat.Commun.、Chem. Sci.、Nucleic Acids Res.等期刊上發表論文50餘篇；擔任數十個國際著名期刊編委或審稿人。

發表論文

1. Li, Fenglei*; Hu, Qiaoyu; Zhang, Xianglei; Sun, Renhong; Liu, Zhuanghua; Wu, Sanan; Tian, Siyuan; Ma, Xinyue; Dai, Zhizhuo; Yang, Xiaobao; Gao, Shenghua; Bai, Fang.DeepPROTACs is a deep learning-based targeted degradation predictor for PROTACs.NATURE COMMUNICATIONS. 21 Nov 2022. 13(1).
2. Li, Jian*; Sun, Jina; Zhang, Xianglei; Zhang, Ruxue; Wang, Qian; Wang, Lin; Zhang, Leike; Xie, Xiong; Li, Chunpu; Zhou, Yu; Wang, Jiang; Xiao, Gengfu; Bai, Fang; Liu, Hong.Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms.CHEMICAL COMMUNICATIONS. 01 Dec 2022.
3. Wang, Qian*; Wang, Lin; Zhang, Yumin; Zhang, XiangLei; Zhang, Leike; Shang, Weijuan; Bai, Fang.Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications.JOURNAL OF MEDICINAL CHEMISTRY. 24 Feb 2022. 65(4).
4. Li, Shiwei*; Wu, Sanan; Wang, Lin; Li, Fenglei; Jiang, Hualiang; Bai, Fang.Recent advances in predicting protein–protein interactions with the aid of artificial intelligence algorithms.CURRENT OPINION IN STRUCTURAL BIOLOGY. Apr 2022. 73.
5. Karmi, Ola*; Marjault, Henri-Baptiste; Bai, Fang; Roy, Susmita; Sohn, Yang-Sung; Yahana, Merav Darash; Morcos, Faruck; Ioannidis, Konstantinos; Nahmias, Yaakov; Jennings, Patricia A.; Mittler, Ron; Onuchic, Jose N.; Nechushtai, Rachel.A VDAC1-mediated NEET protein chain transfers [2Fe-2S] clusters between the mitochondria and the cytosol and impacts mitochondrial dynamics.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 15 Feb 2022. 119(7).
6. Han, Qi-lei*; Zhang, Xiang-lei; Ren, Peng-xuan; Mei, Liang-he; Lin, Wei-hong; Wang, Lin; Cao, Yu; Li, Kai; Bai, Fang.Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.ACTA PHARMACOLOGICA SINICA. Oct 2022.
7. Ren, Peng-xuan*; Shang, Wei-juan*; Yin, Wan-chao*; Ge, Huan*; Wang, Lin*; Zhang, Xiang-lei; Li, Bing-qian; Li, Hong-lin; Xu, Ye-chun; Xu, Eric H.; Jiang, Hua-liang; Zhu, Li-li; Zhang, Lei-ke; Bai, Fang.A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors.ACTA PHARMACOLOGICA SINICA. Feb 2022.
8. Wang, Lin*; Wu, Yan*; Yao, Sheng*; Ge, Huan*; Zhu, Ya; Chen, Kun; Chen, Wen-zhang; Zhang, Yi; Zhu, Wei; Wang, Hong-yang; Guo, Yu; Ma, Pei-xiang; Ren, Peng-xuan; Zhang, Xiang-lei; Li, Hui-qiong; Ali, Mohammad A.; Xu, Wen-qing; Jiang, Hua-liang; Zhang, Lei-ke; Zhu, Li-li; Ye, Yang; Shang, Wei-juan; Bai, Fang.Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein.ACTA PHARMACOLOGICA SINICA. Apr 2022.
9. Wang, Lin*; Li, Feng-lei; Ma, Xin-yue; Cang, Yong; Bai, Fang.PPI-Miner: A Structure and Sequence Motif Co-Driven Protein-Protein Interaction Mining and Modeling Computational Method.JOURNAL OF CHEMICAL INFORMATION AND MODELING. 01 Nov 2022.
10. Bai, Fang*; Liu, Kangdong*; Li, Huiliang*; Wang, Jiawei; Zhu, Junsheng; Hao, Pei; Zhu, Lili; Zhang, Shoude; Shan, Lei; Ma, Weiya; Bode, Ann M.; Zhang, Weidong; Li, Honglin; Dong, Zigang.Veratramine modulates AP-1-dependent gene transcription by directly binding to programmable DNA.NUCLEIC ACIDS RESEARCH. 2018. 46(2):546-557.
11. Iosub-Amir, Anat*; Bai, Fang*; Sohn, Yang-Sung; Song, Luhua; Tamir, Sagi; Marjault, Henri-Baptiste; Mayer, Guy; Karmi, Ola; Jennings, Patricia A.; Mittler, Ron; Onuchic, Jose N.; Friedler, Assaf; Nechushtai, Rachel.The anti-apoptotic proteins NAF-1 and iASPP interact to drive apoptosis in cancer cells.CHEMICAL SCIENCE. 2019. 10(3):665-673.
12. Bai, Fang*; Pi, Xiaoping*; Li, Ping; Zhou, Pingzheng; Yang, Huaiyu; Wang, Xicheng; Li, Min; Gao, Zhaobing; Jiang, Hualiang.A Statistical Thermodynamic Model for Ligands Interacting With Ion Channels: Theoretical Model and Experimental Validation of the KCNQ2 Channel.FRONTIERS IN PHARMACOLOGY. 2018. 9.
13. Bai, Fang*; Morcos, Faruck; Cheng, Ryan R.; Jiang, Hualiang; Onuchic, Jose N..Elucidating the druggable interface of protein-protein interactions using fragment docking and coevolutionary analysis.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 2016. 113(50):8051-8058.
14. Bai, Fang*; Morcos, Faruck*; Sohn, Yang-Sung; Darash-Yahana, Merav; Rezende, Celso O.; Lipper, Colin H.; Paddock, Mark L.; Song, Luhua; Luo, Yuting; Holt, Sarah H.; Tamir, Sagi; Theodorakis, Emmanuel A.; Jennings, Patricia A.; Onuchic, Jose N.; Mittler, Ron; Nechushtai, Rachel.The Fe-S cluster-containing NEET proteins mitoNEET and NAF-1 as chemotherapeutic targets in breast cancer.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 2015. 112(12):3698-3703.
15. Bai, Fang*; Liao, Sha*; Gu, Junfeng; Jiang, Hualiang; Wang, Xicheng; Li, Honglin.An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy.JOURNAL OF CHEMICAL INFORMATION AND MODELING. 2015. 55(4):833-847.
16. Bai, Fang*; Xu, Yechun; Chen, Jing; Liu, Qiufeng; Gu, Junfeng; Wang, Xicheng; Ma, Jianpeng; Li, Honglin; Onuchic, Jose N.; Jiang, Hualiang.Free energy landscape for the binding process of Huperzine A to acetylcholinesterase.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 2013. 110(11):4273-4278.
17. Bai, Fang*; Liu, Hongyan*; Tong, Linjiang; Zhou, Wei; Liu, Li; Zhao, Zhenjiang; Liu, Xiaofeng; Jiang, Hualiang; Wang, Xicheng; Xie, Hua; Li, Honglin.Discovery of novel selective inhibitors for EGFR-T790M/L858R.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS. 2012. 22(3):1365-1370.
18. Bai, Fang*; Liu, Xiaofeng; Li, Jiabo; Zhang, Haoyun; Jiang, Hualiang; Wang, Xicheng; Li, Honglin.Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods.BMC BIOINFORMATICS. 2010. 11.
19. Jin, Zhenming*; Du, Xiaoyu*; Xu, Yechun*; Deng, Yongqiang*; Liu, Meiqin*; Zhao, Yao; Zhang, Bing; Li, Xiaofeng; Zhang, Leike; Peng, Chao; Duan, Yinkai; Yu, Jing; Wang, Lin; Yang, Kailin; Liu, Fengjiang; Jiang, Rendi; Yang, Xinglou; You, Tian; Liu, Xiaoce; Yang, Xiuna; Bai, Fang; Liu, Hong; Liu, Xiang; Guddat, Luke W.; Xu, Wenqing; Xiao, Gengfu; Qin, Chengfeng; Shi, Zhengli; Jiang, Hualiang; Rao, Zihe; Yang, Haitao.Structure of M-pro from SARS-CoV-2 and discovery of its inhibitors.NATURE. 09 Apr 2020. 582(7811):289–293.
20. Lipper, Colin H.*; Stofleth, Jason T.*; Bai, Fang; Sohn, Yang-Sung; Roy, Susmita; Mittler, Ron; Nechushtai, Rachel; Onuchic, Jose N.; Jennings, Patricia A..Redox-dependent gating of VDAC by mitoNEET.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 2019. 116(40):19924-19929.
21. Dai, Wenhao*; Zhang, Bing*; Jiang, Xia-Ming*; Su, Haixia*; Li, Jian; Zhao, Yao; Xie, Xiong; Jin, Zhenming; Peng, Jingjing; Liu, Fengjiang; Li, Chunpu; Li, You; Bai, Fang; Wang, Haofeng; Cheng, Xi; Cen, Xiaobo; Hu, Shulei; Yang, Xiuna; Wang, Jiang; Liu, Xiang; Xiao, Gengfu; Jiang, Hualiang; Rao, Zihe; Zhang, Lei-Ke; Xu, Yechun; Yang, Haitao; Liu, Hong.Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.SCIENCE. 19 Jun 2020. 368(6497):1331-1335.
22. Wang, Haofeng*; Xiao, Yunjie; Chen, Xia; Zhang, Mengwen; Sun, Guangxin; Wang, Feng; Wang, Lin; Zhang, Hanxiao; Zhang, Xiaoyu; Yang, Xin; Li, Wenling; Wei, Yi; Yao, Deqiang; Zhang, Bing; Li, Jun; Cui, Wen; Wang, Fenghua; Chen, Cheng; Shen, Wei; Su, Dan; Bai, Fang; Huang, Jinhai; Ye, Sheng; Zhang, Lei; Ji, Xiaoyun; Wang, Wei; Wang, Zefang; Hochstrasser, Mark; Yang, Haitao.Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.NATURE COMMUNICATIONS. 25 Mar 2022. 13(1):1608.
23. Zhou, Zhongneng*; Chen, Zijing; Kang, Xiu-Wen; Zhou, Yalin; Wang, Bingyao; Tang, Siwei; Zou, Shuhua; Zhang, Yifei; Hu, Qiaoyu; Bai, Fang; Ding, Bei; Zhong, Dongping.The nature of proton-coupled electron transfer in a blue light using flavin domain.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 28 Jun 2022. 119(26).

白芳(上海科技大學助理教授)

基本介紹

人物經歷

研究方向

主要成就

發表論文

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