Name：LI Quanjie

Department：Department of Immunology

Tel: (8610)63131011

Email: quanjie.li@imb.pumc.edu.cn

Education & Research Experience

2020/10 – Now  Associate Researcher, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences

2015/09 – 2020/09  Assistant Researcher, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences    

2013/09 – 2014/09  Visiting Ph. D., Student in California Institute of Technology

2010/09 – 2015/07  Ph.D. in Physical Chemistry, Beijing Normal University

Research Field

Computer Aided Drug Discovery, Computational Chemistry

Research Interests

Dr. Li has been engaged in applying computational chemistry methods to drug discovery.

lComputer-based de novo design of antiviral agents.

lDevelopment of broad-spectrum antiviral inhibitors using docking, virtual screening and molecular modeling.

Application of quantum chemical methods, mainly density functional theory (DFT), and molecular dynamic simulation to investigate the biochemical mechanism of macromolecules.

Selected Publications

[#contributed equally; *corresponding author]

1. Quanjie Li#, Dongrong Yi#, Xiaobo Lei#, Jianyuan Zhao, Yongxin Zhang, Xiangling Cui, Xia Xiao, Tao Jiao, Xiaojing Dong, Xuesen Zhao, Hui Zeng, Chen Liang, Lili Ren, Fei Guo, Xiaoyu Li, Jianwei Wang*, Shan Cen*, Corilagin inhibits SARS-CoV-2 replication by targeting viral RNA-dependent RNA polymerase. Acta Pharm Sin B 2021, 11(6): 1555-1567. (First author)

2. Yong-Xin Zhang#, Yu-Ming Huang#, Quan-Jie Li#, Xiao-Yu Li, Yong-Dong Zhou, Fei Guo, Jin-Ming Zhou*, Shan Cen*. A highly conserved amino acid in VP1 regulates maturation of enterovirus 71. Plos Pathogens 2017, 13(9): e1006625. (Co-first author)

3. Quanjie Li#, Ling Ma#, Dongrong Yi#, Han Wang, Jing Wang, Yongxin Zhang, Ying Guo, Xiaoyu Li, Jinming Zhou*, Yi Shi*, George F Gao, Shan Cen*. Novel cyclo-peptides inhibit Ebola pseudotyped virus entry by targeting primed GP protein. Antiviral Res 2018, 155: 1-11. (First author)

4. Quanjie Li, Soo-Kyung Kim, William a 3rd Goddard*, Guangju Chen, Hongwei Tan. Predicted structures for kappa opioid G-protein coupled receptor bound to selective agonists. J Chem Inf Model 2015, 55(3): 614-627. (First author)

5. Dongrong Yi#, Quanjie Li#, Lili Pang, Yujia Wang, Yongxin Zhang, Zhaojun Duan, Chen Liang, Shan Cen*. Identification of a Broad-Spectrum Viral Inhibitor Targeting a Novel Allosteric Site in the RNA-Dependent RNA Polymerases of Dengue Virus and Norovirus. Front Microbiol 2020, 11: 1440. (Co-first author)

6. Guo-Ning Zhang#, Jianyuan Zhao#, Quanjie Li#, Minghua Wang, Mei Zhu, Juxian Wang*, Shan Cen*, Yucheng Wang*, Discovery and optimization of 2-((1H-indol-3-yl)thio)-N-benzyl-acetamides as novel SARS-CoV-2 RdRp inhibitors. Eur J Med Chem 2021, 223: 113622. (Co-first author)

7. Jing Wang#, Yongxin Zhang#, Quanjie Li, Jianyuan Zhao, Dongrong Yi, Jiwei Ding, Fei Zhao, Siqi Hu, Jinming Zhou, Tao Deng, Xiaoyu Li*, Fei Guo, Chen Liang, Shan Cen*. Influenza Virus Exploits an Interferon-Independent lncRNA to Preserve Viral RNA Synthesis through Stabilizing Viral RNA Polymerase PB1. Cell Rep 2019, 27(11): 3295-3304 e3294.

8. Quanjie Li#, Shuai Fan#, Xiaoyu Li, Yuanyuan Jin, Weiqing He, Jinming Zhou*, Shan Cen*, Zhaoyong Yang*. Insights into the Phosphoryl Transfer Mechanism of Human Ubiquitous Mitochondrial Creatine Kinase. Sci Rep 2016, 6: 38088. (First author)

9. Quan-Jie Li#, Guang-Zhen Zhao#, Li-Jun Chen, Hongwei Tan*, Cui-Hong Wang, De-Xian Wang, Danielle A. Lehman, David C. Muddiman, Hai-Bo Yang*. Coordination-Driven Self-Assembly of Charged and Neutral Dendritic Tetrakis(ferrocenyl) Rhomboids. Organometallics 2012, 31(20): 7241-7247. (First author)

10. Quanjie Li, Jimin Zheng, Hongwei Tan*, Xichen Li, Guangju Chen*, Zongchao Jia. Unique kinase catalytic mechanism of AceK with a single magnesium ion. PLoS One 2013, 8(8): e72048. (First author)

11. Pyeonghwa Jeong#, Soo-Kyung Kim#, Quanjie Li, Su-Jin Oh, Seonil Son, Guangju Chen, Hongwei Tan, Siwon Kim, Jong-Hyun Park, Ki Duk Park, Yeo Ok Kim, Myung Ha Yoon, Yong-Chul Kim*, William A. 3rd Goddard*. Discovery of Novel Biased Opioid Receptor Ligands through Structure-Based Pharmacophore Virtual Screening and Experiment. ChemMedChem 2019, 14(20): 1783-1794.

12. Jianyuan Zhao#, Saisai Guo#, Dongrong Yi#, Quanjie Li, Ling Ma, Yongxin Zhang, Jing Wang, Xiaoyu Li, Fei Guo, Rongtuan Lin, Chen Liang, Zhenlong Liu*, Shan Cen*. A cell-based assay to discover inhibitors of SARS-CoV-2 RNA dependent RNA polymerase. Antiviral Res 2021, 190: 105078.

13 Jianyuan Zhao#, Yongxin Zhang#, Minghua Wang#, Qian Liu#, Xiaobo Lei, Meng Wu, Saisai Guo, Dongrong Yi, Quanjie Li, Ling Ma, Zhenlong Liu, Fei Guo, Jianwei Wang, Xiaoyu Li*, Yucheng Wang*, Shan Cen*. Quinoline and Quinazoline Derivatives Inhibit Viral RNA Synthesis by SARS-CoV-2 RdRp. ACS Infect Dis 2021, 7(6): 1535-1544.

14 Ling Ma#, Shumin Chen#, Zhen Wang#, Saisai Guo, Jianyuan Zhao, Dongrong Yi, Quanjie Li, Zhenlong Liu, Fei Guo, Xiaoyu Li, Pingping Jia, Jiwei Ding*, Chen Liang, Shan Cen*. The CREB Regulated Transcription Coactivator 2 Suppresses HIV-1 Transcription by Preventing RNA Pol II from Binding to HIV-1 LTR. Virol Sin 2021. doi: 10.1007/s12250-021-00363-1.

15. Feng-Wen Xu#, Fei Zhao#, Xiao-Xiao Zhao, Di Zhang, Xiao-Man Liu, Siqi Hu, Shan Mei, Zhang-Ling Fan, Yu Huang, Hong Sun, Liang Wei, Chao Wu, Quan-Jie Li, Jian-Wei Wang, Shan Cen, Chen Liang, Fei Guo*. Pro-515 of the dynamin-like GTPase MxB contributes to HIV-1 inhibition by regulating MxB oligomerization and binding to HIV-1 capsid. Journal of Biological Chemistry 2020, 295(19): 6447-6456.

16. Dong-Rong Yi#, Ni An#, Zhen-Long Liu#, Feng-Wen Xu, Kavita Raniga, Quan-Jie Li, Rui Zhou, Jing Wang, Yong-Xin Zhang, Jin-Ming Zhou, Lei-Liang Zhang, Jing An, Cheng-Feng Qin, Fei Guo, Xiao-Yu Li, Chen Liang*, Shan Cen*. Human MxB inhibits the replication of hepatitis C virus. Journal of Virology 2019, 93(1): e01285-01218.

17. Jing Wang, Yujia Wang, Rui Zhou, Jianyuan Zhao, Yongxin Zhang, Dongrong Yi, Quanjie Li, Jinming Zhou, Fei Guo, Chen Liang, Xiaoyu Li, Shan Cen*. Host Long Noncoding RNA lncRNA-PAAN Regulates the Replication of Influenza A Virus. Viruses 2018, 10(6).

18. Jinming Zhou*, Quanjie Li, Meng Wu, Chao Chen, Shan Cen. Progress in the Rational Design for Polypharmacology Drug. Curr Pharm Des 2016, 22(21): 3182-3189.

19. Yang He, Meng Wu, Yangguang Liu, Quanjie Li, Xiaoyu Li, Laixing Hu*, Shan Cen*, Jinming Zhou*. Identification of Triptophenolide from Tripterygium wilfordii as a Pan-antagonist of Androgen Receptor. ACS Med Chem Lett 2016, 7(12): 1024-1027.

20. Jing Zhang, Nai-Wei Wu, Xing-Dong Xu, Quan-Jie Li, Cui-Hong Wang, Hongwei Tan, Lin Xu*. Branched platinum–acetylide complexes: synthesis, properties, and their aggregation behavior. RSC Advances 2014, 4(31): 16047-16054.

21. Nai-Wei Wu, Quan-Jie Li, Jing Zhang, Jiuming He, Jiang-Kun Ou-Yang, Hongwei Tan, Zeper Abliz, Hai-Bo Yang*. Design and construction of supramolecular polysulfurated metallodendrimers with various shapes and sizes via coordination-driven self-assembly. Tetrahedron 2013, 69(29): 5981-5988.

22. Menglan He, Qing Han, Jiuming He, Quanjie Li, Zeper Abliz, Hongwei Tan, Lin Xu*, Haibo Yang*. Self‐assembly of Pyrene‐modified Rhomboidal Metallodendrimers via Directional Metal‐ligand Bonding Approach. Chinese Journal of Chemistry 2013, 31(5): 663-672.

23. Sourav Chakraborty, Snehasish Mondal, Quanjie Li, Neeladri Das*. Synthesis and characterization of triptycene based tripods and design of a metallasupramolecular cage. Tetrahedron Letters 2013, 54(13): 1681-1685.

24. Qing Han, Li-Lei Wang, Quan-Jie Li, Guang-Zhen Zhao, Jiuming He, Bingjie Hu, Hongwei Tan, Zeper Abliz, Yihua Yu, Hai-Bo Yang*. Synthesis of triangular metallodendrimers via coordination-driven self-assembly. J Org Chem 2012, 77(7): 3426-3432.

25. Qing Han, Li-Jun Chen, Hai-Bo Yang*, Quan-Jie Li, Jiuming He, Hongwei Tan, Zeper Abliz, Cui-Hong Wang. Synthesis and characterization of dendritic platinum bisferrocenylacetylide complexes. Canadian Journal of Chemistry 2012, 90(3): 278-289.

26. Li-Jun Chen, Quan-Jie Li, Jiuming He, Hongwei Tan, Zeper Abliz, Hai-Bo Yang*. Design and construction of endo-functionalized multiferrocenyl hexagons via coordination-driven self-assembly and their electrochemistry. J Org Chem 2012, 77(2): 1148-1153.

27. Qing Han, Quan-Jie Li, Jiuming He, Bingjie Hu, Hongwei Tan, Zeper Abliz, Cui-Hong Wang, Yihua Yu, Hai-Bo Yang*. Design and synthesis of 60 dendritic donor ligands and their coordination-driven self-assembly into supramolecular rhomboidal metallodendrimers. The Journal of organic chemistry 2011, 76(23): 9660-9669.

28. Guang-Zhen Zhao, Quan-Jie Li, Li-Jun Chen, Hongwei Tan*, Cui-Hong Wang, Danielle A. Lehman, David C. Muddiman, Hai-Bo Yang*. Facile Self-Assembly of Supramolecular Hexakisferrocenyl Triangles via Coordination-Driven Self-Assembly and Their Electrochemical Behavior. Organometallics 2011, 30(13): 3637-3642.

29. Guang-Zhen Zhao, Quan-Jie Li, Li-Jun Chen, Hongwei Tan, Cui-Hong Wang, De-Xian Wang, Hai-Bo Yang*. Coordination-driven self-assembly of neutral dendritic multiferrocenyl hexagons via oxygen-to-platinum bonds and their electrochemistry. Organometallics 2011, 30(19): 5141-5146.