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姚小軍 Yao Xiaojun

Yao Xiaojun

Professor

Tel: (853) 8599 6487
Email: xjyao@mpu.edu.mo
Scopus

 Biography

Dr. Yao Xiaojun is currently a professor in the Faculty of Applied Sciences of the Macao Polytechnic University. His research fields are mainly focused on drug design and discovery driven by artificial intelligence and molecular modeling.

 Education and Experiences

Educational background
2004.12 Ph.D. in Chemoinformatics and Theoretical Chemistry, University Paris 7-Denis 
2003.7   Ph.D. in Analytical Chemistry, Lanzhou University
1998.7   B.Sc. in Chemistry, Lanzhou University

Working experiences
2023.7 – present Professor, Faculty of Applied Sciences, Macao Polytechnic University
2013.7-2023.6 Professor, State Key Laboratory for Quality Research in Chinese Medicines Macau University of Science and Technology
2005.1-2013.6 Professor, College of Chemistry and Chemical Engineering, Lanzhou University

 Research Interests

  • Artificial intelligence in drug design and discovery
  • Multi-scale molecular modeling of the interaction between drug and target
  • Molecular targeted anti-cancer drug discovery

 Selected Publications

  1. Y, Li; C, Hsieh; R, Lu; X, Gong; X, Wang; P, li; S, Liu; Y, Tian; D, Jiang; J, Yan; Q, Bai; H, Liu; S, Zhang; X, Yao*, An adaptive graph learning method for automated molecular interactions and properties predictions, Nat Mach Intell. 2022, 4: 645-651.
  2. J, Zhang; P, Liu; J, Chen; D, Yao; Q, Liu; J, Zhang; H, Zhang; E, Leung*; X, Yao*; L, Liu*, Upgrade of chrysomycin A as a novel topoisomerase II inhibitor to curb KRAS-mutant lung adenocarcinoma progression, Pharmacol Res. 2022, 187:106565.
  3. J, Zhang; J, Zhang; Q, Liu; X, Fan; E, Leung*; X, Yao*; L, Liu*, Resistance looms for KRAS G12C inhibitors and rational tackling strategies, Pharmacol Ther. 2022, 229:108050
  4. X, Wang; Z, Jiang; C, Xu; W, Meng; P, Liu; Y, Zhang; C, Xie; J, Xu; Y, Xie; T, Liang; H, Yan; X, Fan; X, Yao*; Q, Wu*; E, Leung*, Andrographolide suppresses non-small-cell lung cancer progression through induction of autophagy and antitumor immune response, Pharmacol Res. 2022, 179:106198
  5. E, Leung*; J, Huang; J, Zhang; J, Zhang; M, Wang; Y, Zhu; Z, Meng; H, Yu; E, Neher; L, Ma*; X, Yao*, Novel Anticancer Strategy by Targeting the Gut Microbial Neurotransmitter Signaling to Overcome Immunotherapy Resistance, Antioxid Redox Signal. 2022,38:298-315 
  6. Zhang, Q.; Zhao, N.; Meng, X.; Yu, F.; Yao, X.; Liu, H.* The prediction of protein–ligand unbinding for modern drug discovery. Expert. Opin. Drug Discov. 2022, 17, 191-205.
  7. X, Wang; Y, Li; J, Qiu; G, Chen; H, Liu; B, Liao*; C, Hsieh*; X, Yao*, RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions, Chem Eng J. 2021, 420:129845
  8. Y, Li; P, Li; X, Yang; C, Hsieh; S, Zhang; X, Wang; R, Lu; H, Liu; X, Yao*, Introducing block design in graph neural networks for molecular properties prediction, Chem Eng J. 2021, 414:128817
  9. P, Li; Y, Li; C, Hsieh; S, Zhang; X, Liu; H, Liu; S, Song*; X, Yao*, TrimNet: learning molecular representation from triplet messages for biomedicine, Brief Bioinform. 2021, 22:bbaa266
  10. Q, Wang; X, Shao; E, Leung; Y, Chen*; X, Yao*, Selectively targeting individual bromodomain: Drug discovery and molecular mechanisms, Pharmacol Res. 2021, 172:105804
  11. Z, Jiang; W, Wang; C, Xu; Y, Xie; X, Wang; Y, Zhang; J, Huang; M, Huang; C, Xie; P, Liu; X, Fan; Y, Ma; P, Yan; L, Liu; X, Yao*; Q, Wu*; E, Leung*, Luteolin and its derivative apigenin suppress the inducible PD-L1 expression to improve anti-tumor immunity in KRAS-mutant lung cancer, Cancer Lett. 2021, 515: 36-48.
  12. H, Lai; X, Fan; R, Li; Y, Wang; J, Zhang; L, Liu; E, Neher; X, Yao*; E, Leung*, Roles of Ion Fluxes, Metabolism, and Redox Balance in Cancer Therapy, Antioxid Redox Sign. 2021, 34: 1108-1127.
  13. F, Wang; W, Ye; S, Wang; Y, He; H, Zhong; Y, Wang; Y, Zhu; J, Han; Z, Bing; S, Ji; H, Liu*; X, Yao*, Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy, Neoplasia. 2021, 23: 281-293.
  14. J, Han; Y, Zhu; D, Pan; H, Xue; S, Wang; Y, Peng; H, Liu*; Y, He*; X, Yao*, Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography, Comput Struct Biotechnol J. 2021, 19: 4079-4091.
  15. W, Wang; L, Mao; H, Lai; Y, Wang; Z, Jiang; W, Li; J, Huang; Y, Xie; C, Xu; P, Liu; Y, Li*; E, Leung*; X, Yao*, Dolutegravir derivative inhibits proliferation and induces apoptosis of non-small cell lung cancer cells via calcium signaling pathway, Pharmacol Res. 2020, 161: 105129
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