簡單介紹

雷金平，太阳集团1088vip“百人計劃”副教授，兼任青年教師專職輔導員。研究領域為計算藥物化學及計算化學生物學，研究方向包括：人工智能與計算機輔助藥物設計、藥物作用機制的量子力學/分子力學多尺度模拟、藥物合成的量子化學計算等。近些年在Proc. Natl. Acad. Sci. USA.、J. Am. Chem. Soc.和Angew. Chem. Int. Ed.、J. Med. Chem.、Eur. J. Med. Chem.、Sci China Chem 、J. Chem. Inf. Model等國際著名學術雜志發表相關多篇，授權了多項國家發明專利。擔任了廣東省高性能計算學會理事、廣東省藥理學會藥物篩選與評價專業委員會委員，以及molecules客座編輯等。

 

 

教育經曆

2005-2009，四川大學，化學，學士

2009-2014，南京大學，化學，博士

工作經曆

2014，南方科技大學，化學系，助理工程師

2015-2019，香港科技大學，化學系，副研究員

2019至今，中山大學，太阳集团1088vip，副教授

 

科研項目

  1. 國家重點研發計劃，支撐分子生成的新一代AI技術研發，2023年，項目骨幹成員
  2. 粵港科技創新聯合資助專題，靶向骨硬化素loop3的抗骨質疏松小分子抑制劑的研發，2023年，主持
  3. 廣州市基礎與應用基礎研究項目，新型含咪唑環的抗腫瘤腺苷A2B受體拮抗劑的人工智能設計與研究，2021年，主持
  4. 國家自然科學基金青年項目，含“苯并[4,5]咪唑并[1,2-a]吡嗪-1-胺”骨架的腺苷A2A受體選擇性拮抗劑的設計、合成及抗腫瘤活性研究，2020年，主持
  5. 國家自然科學基金重大研究項目，不對稱多組分反應高效構建手性分子及活性評價，2020年，主要參與者
  6. 中山大學2020年度“三大”建設超算培育專項，抗腫瘤活性小分子化合物數據庫及相關虛拟篩選雲平台的建設與應用，2020年，主持
  7. 高校基本科研業務費-中山大學青年教師培育項目，新型含咪唑環的腺苷A2A受體拮抗劑的計算機輔助設計，2020年，主持
  8. 清遠高新區特色載體建設項目，計算機輔助藥物研發設計平台的建設與應用，2019年，主持+參與
  9. 中山大學“百人計劃”啟動項目，2019年，主持

代表性論著

  1. Junjie Xie, Sheng Chen, Jinping Lei,* Yuedong Yang.* DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model. J. Chem. Inf. Model, 2024, 64, 2554-2564.

  2. Hao Zhang, Jinchao Huang, Junjie Xie, Weifeng Huang, Yuedong Yang, Mingyuan Xu,* Jinping Lei,* Hongming Chen.* GRELinker: A Graph-based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning. J. Chem. Inf. Model, 2024, 64, 666-676.

  3. Haoyang Liu#, Yifei Qin#, Zhangming Niu#，Mingyuan Xu, Jiaqiang Wu, Xianglu Xiao, Jinping Lei*, Ting Ran*, Hongming Chen.* How good are Current Pocket-Based 3D Generative Models?: The Benchmark Set and Evaluation of Protein Pocket-Based 3D Molecular Generative Models. J. Chem. Inf. Model, 2024, accepted.

  4. Sifan Yu#,*, Weifeng Huang#, Hao Zhang, Yinfeng Guo, Ge Zhang*, Jinping Lei.* Discovery of the small molecular inhibitors against sclerostin loop3 as potential Anti-Osteoporosis agents by structural based virtual screening and molecular design, Eur. J. Med. Chem., 2024, 271, 116414.

  5. Rui Qin, Hao Zhang, Weifeng Huang, Zhenglin Shao, Jinping Lei.* Deep Learning-based Design and Screening of Benzimidazole-pyrazine derivatives as Adenosine A2B Receptor Antagonists. J. Biomol. Struct. Dyn., 2024, DOI: 10.1080/07391102.2023.2295974.

  6. Kejue Wu†, Yinfeng Guo†, Tiefeng Xu, Weifeng Huang, Deyin Guo, Liu Cao, and Jinping Lei*. Structure-based virtual screening for MTase inhibitors of SARS-CoV-2 nsp14 and nsp16. Molecules., 2024, accepted

  7. Sujuan Guan, Tingting Hu, Liushan Chen, Zheng Li, Zhenming Lin, Jinping Lei*, Juan Shen*. A novel PPARβ/FFA1 dual agonist Y8 promotes diabetic wound healing . EUR. J. PHARMACOL., 2023, 958, 175934

  8. Mingyuan Xu*，#, Weifeng Huang#, Min Xu, Jinping Lei*, Hongming Chen*. 3D conformational generative models for biological structures using graph information embedded relative coordinates. Molecules., 2023, 28, 321.

  9. Youhai Tan,# Lingxue Dai,# Weifeng Huang, Yinfeng Guo, Shuangjia Zheng, Jinping Lei, Hongming Chen,* Yuedong Yang.* DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design. J. Chem. Inf. Model, 2022, 62, 5907-5917.

  10. Shuhao Liu,# Wen Ding,# Weifeng Huang,# Zhijing Zhang, Yinfeng Guo, Qiyi Zhang, Linna Wu, Yukai Li, Rui Qin, Jiahao Li, Taoda Shi,* Xiaolei Zhang,* Jinping Lei,* Wenhao Hu*, Discovery of novel benzo[4,5]imidazo[1,2-a]pyrazin-1-amine-3-amide-one derivatives as anticancer human A2A adenosine receptor antagonists, J. Med. Chem., 2022, 65, 8933-8947.
  11. Jiale Dong,# Jing Xiao,# Jianyi Li,# Huan Yu, Qian Zhao, Qinglin Tang, Hui Chen, Han Liu, Kejue Wu, Jinping Lei, Rui Wang, and Xianxing Jiang*. Discovery and Design of Novel Cyclic Peptides as Specific Inhibitors Targeting CCN2 and Disrupting CCN2/EGFR Interaction for Kidney Fibrosis Treatment. J. Med. Chem., 2023, 66, 8251-8266.
  12. Jingjing Huang, Yufei Chen, Yinfeng Guo, Ming Bao1, Kemiao Hong, Yuanqing Zhang, Wenhao Hu, Jinping Lei,* Yongqiang Liu,* Xinfang Xu.* Synthesis of dihydrofuran3one and 9,10phenanthrenequinone hybrid molecules and biological evaluation against colon cancer cells as selective Akt kinase inhibitors. Molecule diversity, 2022.
  13. G. Lakshma Reddy, Rupam Sarma, Shuhao Liu, Weifeng Huang, Jinping Lei,* Jiasheng Fu,* Wenhao Hu,* Design, synthesis and biological evaluation of novel scaffold benzo[4,5]imidazo [1,2-a]pyrazin-1-amine: towards adenosine A2A receptor (A2A AR) antagonist, Eur. J. Med. Chem., 2021, 210, 113040.
  14. Ming Bao, Jinzhou Chen, Chao Pei, Sujie Zhang, Jinping Lei,* Wenhao Hu,* Xinfang Xu,* Gold-catalyzed ketene dual functionalization and mechanistic in-sights: divergent synthesis of indenes and benzo[d]oxepines, Sci China Chem, 2021, 64, 778-787.

  15. Xiaowei Luo,*# Guodi Cai,# Yinfeng Guo,# Weifeng Huang, Chenghai Gao, Zhenhua Zhang, Humu Lu, Kai Liu, Jianghe Chen, Jinping Lei, Xuefeng Zhou,* Junjian Wang,* Yonghong Liu,* Exploring the Marine-Derived Ascochlorins as Novel hDHODH Inhibitors for Treatment of Triple-Negative Breast Cancer, J. Med. Chem., 2021, 64, 13918-13932.

  16. Lang Guo#, Xiaowei Luo#, Ping Yang#, Yanting Zhang, Jialuo Huang, Hong Wang,Yinfeng Guo, Weifeng Huang, Zhiqiang Chen, Shusheng Wang, Junjian Wang, Jinping Lei*, Songtao Xiang*, Yonghong Liu*, Ilicicolin A Exerts Antitumor Effect in Castration-Resistant Prostate Cancer Via Suppressing EZH2 Signaling Pathway, FRONTIERS IN PHARMACOLOGY, 2021, 12, 723729.

  17. Taylor R. Quinn, Olaf Wiest, Per-Ola Norrby, Xuhui Huang, Cynthia V. Stauffacher, Fu Kit Sheong, Wei Wang, Paul Helquist, Jinping Lei, Brandon E. Haines, Calvin N. Steussy, Microsecond Timescale MD Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues, Chem. Sci., 2021, 12, 6413-6418.

  18. Jing Zhang#, Hang Zou#, Jinping Lei#, Benzhao He, Xuewen He, Herman H. Y. Sung, Ryan T. K. Kwok, Jacky W. Y. Lam, Lei Zheng*, Ben Zhong Tang*, Multifunctional Au(I)-based AIEgens: Manipulating Molecular Structures and Boosting Specific Cancer Cell Imaging and Theranostics, Angew. Chem. Int. Ed., 2020, 59, 7097-7105.
  19. Yunjiao He#, Jinping Lei#, Xuehua Pan, Xuhui Huang*, Yanxiang Zhao*. The hydrolytic water molecule of Class A β-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci. Rep., 2020, 10, 10205.
  20. Kostiantyn O. Marichev, Kan Wang, Nicole Greco, Kuiyong Dong, Jinzhou Chen, Jinping Lei*, Michael P. Doyle*, Strain-Induced Nucleophilic Ring Opening of Donor-Acceptor Cyclopropenes for Synthesis of Monosubstituted Succinic Acid Derivatives, Chemistry-A European Journal, 2020, 26, 1-9.
  21. Jianwei Zheng, Junfeng Wang, Qian Wang, Hongye Zou, Hong Wang, Zhenhua Zhang, Jianghe Chen, Qianqian Wang, Yueshan Zhao, Jing Lu, Xiaolei Zhang, Songtao Xiang, Haibin Wang, Jinping Lei, Hong-Wu Chen, Peiqing Liu*, Yonghong Liu*, Fanhai Han*, Junjian Wang*. Targeting castration-resistant prostate cancer with a novel RORg antagonist elaiophylin. Acta Pharmaceutica Sinica B. 2020, 10, 2313-2322.

  22. Jinzhou Chen, Shuhao Liu, Xinxin Lv, Kemiao Hong, Jinping Lei, Xinfang Xu*, Wenhao Hu*, Blue Light-Promoted Formal [4+1]-Annulation of Diazoacetates with o-Aminoacetophenones: Synthesis of Polysubstituted Indolines and Computational Study, J. Org. Chem, 2020, 85, 13920-13928.

  23. Sifan Yu, Jinzhou Chen, Gengxin Liu, Jinping Lei, Wenhao Hu*, Huang Qiu*. A gold(I)-catalysed chemoselective three-component reaction between phenols, α-diazocarbonyl compounds and allenamides, Chem. Commun., 2020, 56, 1649-1652 
  24. Zefeng Zhu; Chun Chen; Jingxing Jiang; Qianzhong Zhang; Zhibo Du; Shuxian Wei; Xianheng Song; Jie Tang; Jinping Lei; Zhuofeng Ke; Yong Zou*. Synthesis and biological evaluation of Suffrutines A, B and their N-fused analogues, ORG. CHEM. FRONT., 2020, 7, 1122
  25. Jinping Lei, Gang Sheng, Peter Pak-Hang Cheung, Shenglong Wang, Yu Li, Xin Gao, Yingkai Zhang*, Yanli Wang*, Xuhui Huang*, Two Symmetric Arginine Residues Play Distinct Roles in Thermus thermophilus Argonaute DNA Guide Strand-mediated DNA Target Cleavage, Proc. Natl. Acad. Sci. USA, 2019, 116(3): 845-853
  26. Jinping Lei, Yanzi Zhou*, Daiqian Xie, Yingkai Zhang*, Mechanistic Insights into a Classic Wonder Drug-Aspirin, J. Am. Chem. Soc, 2015, 137(1): 70-73