Ph.D.Supervisor, Medicinal Chemistry,
Associate Professor
shuaiwang@fudan.edu.cn
Fudan University-DSM Joint Laboratory
86-13526656062
https://chemistry.fudan.edu.cn/chemen/9d/d2/c2242
1a499154/page.htm
Development of Broad-spectrum Antiviral Innovative Drugs
Development of Innovative Drugs for Major Chronic Diseases
Construction of Diverse Compound Library and New Drug Screening Platform
Secretary of Chinese Pharmaceutical Chemistry Committee
Young Editorial Chairman Member of Journal of Medicinal Chemistry
Young Editorial Member of Acta Pharmaceutica Sinica B
Young Editorial Chairman Member of Chinese Chemical Letters
Guest editor of European Journal of Medicinal Chemistry
National High-Level Young Talent of 2024
2023 Shanghai Magnolia Talent Plan Pujiang project
2010.9-2014.7BSc, School of Pharmacy, Jinzhou Medical University
2014.9-2017.7Master, School of Pharmacy, Zhengzhou University
2017.9-2021.7PhD, Institute of Materia Medica, Zhengzhou University
2019.9-2021.2Visiting scholar, Gordon Center for Medical Imaging, Harvard Medical School
2021.7-2022.7Research Assistant, Department of Chemistry, Fudan University
2022.7- Associate Professor, Department of Chemistry, Fudan University
2023.10- Secretary of Chinese Pharmaceutical Chemistry Committee, Chinese Pharmaceutical society
Advance in pharmaceutical chemistry
Pharmaceutical synthetic chemistry
Chen, X. M.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E*. Halogenation-Driven Discovery of Halomethylene-Biphenyl-Diarylpyrimidines as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Improved Safety and PK Profiles. J. Med. Chem., 2025, Major revision.
Chen, X. M.; Hao, Q. Q.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E*. Bioisosterism-Driven Design of Orally active, Safe, and Broad-Spectrum Biphenyl-DAPY Derivatives as Highly Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Acta Pharm. Sin. B, 2025, In press.
Zhang, K.; Zhao L. M.; Xing, T. H.; Bu Y.Y.; Wang Q. Y.; Pannecouque, C.; De Clercq, E.; Lian, Y. X.; Corona, A.; Dettori, L.; Tramontano, E.; Wang, S.*; Chen, F. E*. Rational structure-based design and optimization of next-generation biphenyl-piperidine-triazine derivatives as potent non-nucleoside reverse transcriptase inhibitors. Chin. Chem. Lett., 2025, 10.1016/j.cclet.2025.111283.
Zhang, K.; Xing, T. H.; Ding L.; Pannecouque, C.; De Clercq, E.; Lian, Y. X.; Corona, A.; Dettori, L.; Tramontano, E.; Wang, S.*; Chen, F. E*. Deuteration Strategy-Inspired Design of Novel Diarylpyrimidine Derivatives as Potent NNRTIs Featuring Improved Efficacy, Selectivity and Druggability. J. Med. Chem., 2025, 68 (8), 8564–8577.
Chen, X. M.; Pannecouque, C.; De Clercq, E.; Lian, Y. X.; Corona, A.; Dettori, L.; Tramontano, E.; Wang, S.*; Chen, F. E*. Structure-based discovery of novel diarylpyrimidines as potent and selective Non-Nucleoside reverse transcriptase inhibitors: From CH(CN)-Biphenyl-Diarylpyrimidines to CNNH2-Biphenyl-Diarylpyrimidines. Eur. J. Med. Chem. 2025, 285, 117271.
Huang, W. J.; Pannecouque, C.; De Clercq, E.; Corona, A.; Maloccu, S.; Tramontano, E.; Wang, S.*; Chen, F. E*. Expanding the Solvent/Protein Region Occupation of the Non-Nucleoside Reverse Transcriptase Inhibitor Binding Pocket for Improved Broad-Spectrum Anti-HIV-1 Efficacy: from Rigid Phenyl-Diarylpyrimidines to Flexible Hydrophilic Piperidine-Diarylpyrimidines. J. Med. Chem. 2024, 67 (21), 19889-19904.
Huang, W. J.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E*. Fragment Addition-Based Design of Heteroaromatic-Biphenyl-DAPYs as Potent and Orally Available Non-nucleoside Reverse Transcriptase Inhibitors Featuring Significantly Enhanced Safety. J. Med. Chem. 2024, 67 (19), 17568-17584.
Wang, S.1,*; Wang, S. Q.1; Chen, X. B.1; Xu Q.; Teng, Q. X.; Chen, Z. S.; Zhang X. Y.*; Chen, F. E*. Cell-Based Screen Identifies a Highly Potent and Orally Available ABCB1 Modulator for Treatment of Multidrug Resistance. J. Med. Chem. 2024, 67 (21) 18764–18780.
Zhang, K.; Zhang, Y. J.; Li, M.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E*. Deciphering the enigmas of non-nucleoside reverse transcriptase inhibitors (NNRTIs): A medicinal chemistry expedition towards combating HIV drug resistance. Med. Res. Rev. 2025, 45 (2), 426-483.
Huang, W. J.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E*. Structure-based discovery of novel piperidine-biphenyl-DAPY derivatives as non-nucleoside reverse transcriptase inhibitors featuring improved potency, safety, and selectivity: From piperazine-biphenyl-DAPYs to piperidine-biphenyl-DAPYs. Eur. J. Med. Chem. 2024, 276, 116668.
Wang, J. S., Zhao, K. X., Zhang K., Pannecouque, C.; Clercq, E.; Wang, S.*; Chen, F. E.*, Structure-guided design of novel biphenyl-quinazoline derivatives as potent non-nucleoside reverse transcriptase inhibitors featuring improved anti-resistance, selectivity, and solubility, Bioorg. Chem. 2024, 147, 107340.
Sang, Y. L.; Pannecouque, C.; Clercq, E.; Wang, S.*; Chen, F. E.*, Fragment hopping-based design of novel biphenyl-DAPY derivatives as potent NNRTIs featuring significantly improved anti-resistance efficacy. J. Med. Chem. 2023, 66, 4755-4767.
Sang, Y. L.; Pannecouque, C.; Clercq, E.; Wang, S.*; Chen, F. E.*, Picomolar inhibitor of reverse transcriptase featuring significantly improved metabolic stability. Acta Pharm. Sin. B, 2023, 13, 3054-3066.
Zhao, L. M.; Pannecouque, C.; Clercq, E.; Wang, S.; Chen, F. E. Structure-based design of novel heterocycle-substituted ATDP analogs as non-nucleoside reverse transcriptase inhibitors with improved selectivity and solubility. Acta Pharm. Sin. B 2023, 13, 4906-4917.
Zhou, R. L.; Ju, Z.; Pannecouque, C.; Clercq, E.; Wang, S.*; Chen, F. E.*, Structure-guided design of novel HEPT analogs with enhanced potency and safety: From Isopropyl-HEPTs to Cyclopropyl-HEPTs. Eur. J. Med. Chem. 2023, 246, 114939.
Ling, X.; Hao, Q. Q.; Huang, W. J.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E.*, Development of novel S-N3-DABO derivatives as potent non-nucleoside reverse transcriptase inhibitors with improved potency and selectivity. Eur. J. Med. Chem. 2023, 247, 115042.
Zhao, L. M.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E.*, Structure-directed expansion of biphenyl-pyridone derivatives as potent non-nucleoside reverse transcriptase inhibitors with significantly improved potency and safety. Chin. Chem.Lett.2023, 108261.
Hao, Q. Q.; Chen, X. M.; Pannecouque, C.; De Clercq, E.; Wang, S.*; Chen, F. E.*, Structure-directed linker optimization of novel HEPTs as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg. Chem. 2023, 133, 106413.
Jin, X.; Wang, S.; Zhao, L. M.; Huang, W. J.; Zhang, Y. X.; Pannecouque, C.; De Clercq, E.; Meng, G.*; Piao, H. R.*; Chen, F.*, Development of fluorine-substituted NH2-biphenyl-diarylpyrimidines as highly potent non-nucleoside reverse transcriptase inhibitors: boosting the safety and metabolic stability. Acta. Pharm. Sin. B 2023, 13, 1192-1203.
Jin, X.; Zhao, L. M.; Wang, S.; Huang, W. J.; Zhang, Y. X.; Pannecouque, C.; De Clercq, E.; Chen, F. E.*, Structure-based discovery of novel NH2-biphenyl-diarylpyrimidines as potent non-nucleoside reverse transcriptase inhibitors with significantly improved safety: from NH2-naphthyl-diarylpyrimidine to NH2-biphenyl-diarylpyrimidine. J. Med. Chem. 2022, 65 (12), 8478-8492.
Zhao, L. M.; Wang, S.; Pannecouque, C.; De Clercq, E.; Piao, H. R.*; Chen, F. E.*, Discovery of novel biphenyl-substituted pyridone derivatives as potent non-nucleoside reverse transcriptase inhibitors with promising oral bioavailability. Eur. J. Med. Chem. 2022, 240, 114581.
Hao, Q.; Wang, S.; Huang, W.; Zhang, Y.; Pannecouque, C.; De Clercq, E.; Chen, F.*, Structure-based design of [(2-hydroxyethoxy)methyl]-6-(phenylthio)-thymine derivatives as nonnucleoside HIV-1 reverse transcriptase inhibitors: from HEPTs to sulfinyl-substituted HEPTs. Bioorg. Chem. 2022, 126, 105880.
Wang, S.; Chen, F. E.*, Small-molecule MDM2 inhibitors in clinical trials for cancer therapy. Eur. J. Med. Chem.2022, 236, 114334.
Wang, S.1; Wang, S. Q.1; Teng, Q. X.; Lei, Z. N.; Chen, Z. S.; Chen, X. B.*; Liu, H. M.*; Yu, B.*, Discovery of the triazolo[1,5-a]pyrimidine-based derivative WS-898 as a highly efficacious and orally bioavailable ABCB1 inhibitor capable of overcoming multidrug resistance. J. Med. Chem. 2021, 64 (21), 16187-16204.
Wang, S.; Yuan, X. H.; Wang, S. Q.; Zhao, W.; Chen, X. B.; Yu, B.*, FDA-approved pyrimidine-fused bicyclic heterocycles for cancer therapy: Synthesis and clinical application. Eur. J. Med. Chem. 2021, 214, 113218.
Wang, S.; Gong, L. C.; El Fakhri, G.*; Wang, J. F.*, Efficient synthesis of 6,6′-diamido-2,2′-dipicolylamine ligands for potential phosphate anion sensing. New J. Chem. 2021, 45 (36), 16833-16840.
Huo, J. L.1; Wang, S.1; Yuan, X. H.; Yu, B.*; Zhao, W.*; Liu, H. M.*, Discovery of [1,2,4]triazolo[1,5-a]pyrimidines derivatives as potential anticancer agents. Eur. J. Med. Chem. 2021, 211, 113108.
Wang, S.1; Shen, D. D.1; Zhao, L. J.1; Yuan, X. H.; Cheng, J. L.; Yu, B.*; Zheng, Y. C.*; Liu, H. M.*, Discovery of [1,2,4]triazolo[1,5-a]pyrimidine derivatives as new bromodomain-containing protein 4 (BRD4) inhibitors. Chin. Chem. Lett. 2020, 31 (2), 418-422.
Wang, S.1; Wang, S. Q.1; Teng, Q. X.1; Yang, L. L.; Lei, Z. N.; Yuan, X. H.; Huo, J. F.; Chen, X. B.; Wang, M. R.; Yu, B.*; Chen, Z. S.*; Liu, H. M.*, Structure-based design, synthesis, and biological evaluation of new triazolo[1,5-a]pyrimidine derivatives as highly potent and orally active ABCB1 modulators. J. Med. Chem. 2020, 63 (24), 15979-15996.
Wang, S.1; Ma, X. B.1; Yuan, X. H.; Yu, B.*; Xu, Y. C.*; Liu, H. M.*, Discovery of new [1,2,4] triazolo[1,5-a]pyrimidine derivatives that Kill gastric cancer cells via the mitochondria pathway. Eur. J. Med. Chem. 2020, 203, 112630.
Lu, N.1; Huo, J. L.1; Wang, S.1; Yuan, X. H.; Liu, H. M.*, Drug repurposing: discovery of troxipide analogs as potent antitumor agents. Eur. J. Med. Chem. 2020, 202, 112471.
Shi, X. J.1; Wang, S.1; Li, X. J.1; Yuan, X. H.; Cao, L. J.; Yu, B.*; Liu, H. M.*, Discovery of tofacitinib derivatives as orally active antitumor agents based on the scaffold hybridization strategy. Eur. J. Med. Chem. 2020, 203, 112601.
Yuan, X. H.1; Wang, S.1; Cheng, J. L.; Yu, B.*; Liu, H. M.*, HFIP-promoted catalyst-free cascade reactions for the synthesis of biologically relevant 3,3-di(indolyl)indolin-2-ones from indoles and isatins. Chin. Chem. Lett.2020, 31 (9), 2465-2468.
Wang, S.1; Zhao, L. J.1; Shi, X. J.1; Ding, L. N.1; Yang, L. L.; Wang, Z. Z.; Shen, D. D.; Tang, K.; Li, X. J.; Mamun, M.; Li, H. J.; Yu, B.*; Zheng, Y. C.*; Wang, S. M.*; Liu, H. M.*, Development of highly potent, selective, and cellular active triazolo[1,5-a]pyrimidine-based inhibitors targeting the DCN1-UBC12 protein-protein interaction. J. Med. Chem. 2019, 62 (5), 2772-2797.
He, P. X.1; Niu, S. H.1; Wang, S.1; Shi, X. J.; Feng, S. Q.; Du, L. N.; Zhang, X. Y.; Ma, Z. L.; Yu, B.*; Liu, H. M.*, Discovery of WS-157 as a highly potent, selective and orally active EGFR inhibitor. Acta. Pharm. Sin. B 2019, 9 (6), 1193-1203.
Wang, S.1; Li, Z. R.1; Suo, F. Z.; Yuan, X. H.; Yu, B.*; Liu, H. M.*, Synthesis, structure-activity relationship studies and biological characterization of new [1,2,4]triazolo[1,5-a]pyrimidine-based LSD1/KDM1A inhibitors. Eur. J. Med. Chem. 2019, 167, 388-401.
Li, Z. R.1; Wang, S.1; Yang, L.; Yuan, X. H.; Suo, F. Z.; Yu, B.*; Liu, H. M.*, Experience-based discovery (EBD) of aryl hydrazines as new scaffolds for the development of LSD1/KDM1A inhibitors. Eur. J. Med. Chem. 2019, 166, 432-444.
Wang, S.1; Zhao, L. J.1; Zheng, Y. C.; Shen, D. D.; Miao, E. F.; Qiao, X. P.; Zhao, L. J.; Liu, Y.; Huang, R.; Yu, B.*; Liu, H. M.*, Design, synthesis and biological evaluation of [1,2,4]triazolo[1,5-a]pyrimidines as potent lysine specific demethylase 1 (LSD1/KDM1A) inhibitors. Eur. J. Med. Chem. 2017, 125, 940-951.