Guo-Bo Li, Professor, PhD
Principal Investigator
Department of Medicinal Chemistry
West China School of Pharmacy
Sichuan University
No. 17, Sec. 3, Renmin Road South
Chengdu, Sichuan 610041
Call：028-85503235
E-mail: liguobo@scu.edu.cn
Group Website
https://www.ddtmlab.org
Education and Training
Sep 2005 ~ Jun 2009 Xihua University, School of Biotechnology, Undergraduate
Sep 2009 ~ Jun 2011 Sichuan University, West China School of Pharmacy, Master Degree Candidate
Sep 2011 ~ Jun 2014 Sichuan University, State Key Laboratory of Biotherapy, PhD Candidate
Sep 2014 ~ Jul 2015 Sichuan University, State Key Laboratory of Biotherapy, Postdoctoral Researcher
Jul 2015 ~ Aug 2016 University of Oxford, Chemistry Research Laboratory, Postdoctoral Researcher
Sep 2016 ~ Seq 2021 Sichuan University, West China School of Pharmacy, Associate Professor
Sep 2021 ~ Now Sichuan University, West China School of Pharmacy, Associate Professor
Research Interests
Metalloenzymes are central to a wide range of biological and pathological processes, and are attractive targets for biological importance exploration and therapeutical intervention. There has a vast and largely untapped space for research targeting known and uncharacterized metalloenzymes, driving the needs of metalloenzyme-focused knowledges, resources, tools, and strategies. Our research focuses on development of new computational tools, new data resources and new web servers to boost metalloenzyme basic science and drug discovery, and development of new chemical probes, hit/lead compounds or drug candidates to exploit metalloenzyme biological/pathological roles and therapeutical potentials.
Research Projects
1) National Natural Science Foundation of China (NSFC) Excellent Young Scientists Fund (2022-2024)
2) Sichuan Science and Technology Program (2022-2023)
3) National Natural Science Foundation of China (NSFC) General Program (2021-2024)
4) National Natural Science Foundation of China (NSFC) General Program (2019-2022)
5) Sichuan Science and Technology Program (2018-2020)
6) National Natural Science Foundation of China (NSFC) Youth Program (2016-2018)
7) Sichuan University Start-up Funding (2016-2018)
8) Postdoctoral Research Funding (2015-2016)
Selected Publication (#Co-first author, *Corresponding author)
1) Yu, J.-L.; Wu, S.; Zhou, C.; Dai, Q.-Q.; Schofield, C. J.; Li, G.-B. MeDBA: The Metalloenzyme Data Bank and Analysis Platform. Nucl. Acids Res. 2022, doi.org/10.1093/nar/gkac860
2) Yu, J.-L.; Dai, Q.-Q.; Li, G.-B.* Deep learning in target prediction and drug repositioning: recent advances and challenges. Drug Discovery Today 2022, doi.org/10.1016/j.drudis.2021.10.010.
3) Li, G.; Dai, Q.-Q.; Li, G.-B.* MeCOM: A Method for Comparing Three-Dimensional Metalloenzyme Active Sites. J. Chem. Inf. Model. 2022, 62, 730-739.
4) Ning, X.-L.; Li, Y.-Z.; Huo, C.; Deng, J.; Gao, C.; Zhu, K.-R.; Wang, M.; Wu, Y.-X.; Yu, J.-L.; Ren, Y.-L.; Luo, Z.-Y.; Li, G.; Chen, Y.; Wang, S.-Y.; Peng, C.; Yang, L.-L.; Wang, Z.-Y.; Wu, Y.; Qian, S.*; Li, G.-B.* X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson’s Disease. J. Med. Chem. 2021, 64, 8303-8332.
5) Xiao, Y.-C.*; Yu, J.-L.; Dai, Q.-Q.; Li, G.; Li, G.-B.* Targeting Metalloenzymes by Boron-Containing Metal-Binding Pharmacophores. J. Med. Chem. 2021, 64, 17706-17727.
6) Dai, Q.; Yan, Y.; Ning, X.; Li, G.; Yu, J.; Deng, J.; Yang, L.; Li, G.-B.* AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-β-lactamases and indoleamine/tryptophan 2,3-dioxygenases. Acta Pharm. Sin. B 2021, 11, 1931-1946.
7) Xiao, Y.-C.; Chen, X.-P.; Deng, J.; Yan, Y.-H.; Zhu, K.-R.; Li, G.; Yu, J.-L.; Brem, J.; Chen, F.; Schofield, C. J.*; Li, G.-B.* Design and enantioselective synthesis of 3-(α-acrylic acid)benzoxaboroles to combat carbapenemase resistance. Chem. Commun. 2021, 57, 7709-7712.
8) Yan, Y.-H.; Li, G.; Li, G.-B.* Principles and current strategies targeting metallo-β-lactamase mediated antibacterial resistance. Med. Res. Rev. 2020, 40, 1558-1592. (Front Cover)
9) Li, G.; Su, Y.; Yan, Y.-H.; Peng, J.-Y.; Dai, Q.-Q.; Ning, X.-L.; Zhu, C.-L.; Fu, C.; McDonough, M. A.; Schofield, C. J.; Huang, C.*; Li, G.-B.* MeLAD: an integrated resource for metalloenzyme-ligand associations. Bioinformatics 2020, 36, 904-909.
10) Wang, Y.-L.; Liu, S.; Yu, Z.-J.; Lei, Y.; Huang, M.-Y.; Yan, Y.-H.; Ma, Q.; Zheng, Y.; Deng, H.; Sun, Y.; Wu, C.; Yu, Y.; Chen, Q.; Wang, Z.; Wu, Y.*; Li, G.-B.* Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-β-Lactamases. J. Med. Chem. 2019, 62, 7160-7184.
