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Shiqing Xu

Shiqing Xu
Shiqing Xu, PhD

Assistant Professor of Pharmaceutical Sciences

Joint Appointment: Assistant Professor of Chemistry

Contact

Texas A&M Irma Lerma Rangel School of Pharmacy
Mail Stop 1114, 159 Reynolds Medical Building
College Station, TX 77843
shiqing.xu@tamu.edu
Phone: 979.436.9919

Education and Training

  • Purdue University, Postdoctoral fellow, 2013
  • Fudan University , Ph.D, Medicinal Chemistry, 2009
  • Fudan University , B.S., Pharmacy, 2004

Research Interests

  • Organic/Medicinal Chemistry
  • Antiviral Drug Discovery
  • Anti-Cancer Drug Discovery
  • Chemical Biology
  • The research in the Xu Lab aims to develop innovative synthetic methodologies and therapeutic approaches, and apply them to solving pressing problems of biological and medical importance. New synthetic methodologies and strategies (e.g. no-traditional disconnections and C–H functionalization) have great impacts on the discovery of transformational medicines by enabling the rapid and efficient synthesis of novel, diverse, and complex biologically active molecules. New therapeutic approaches (e.g. targeted covalent inhibition and targeted protein degradation) provide new opportunities to address traditionally “undruggable” disease targets.
  • We anticipate that the combination of the efforts in the development of novel synthetic methodologies and therapeutic approaches will advance drug discovery in diseases of unmet need, and achieve the research goal of identifying small-molecule probes and drug candidates that specifically remove/inhibit disease-causing proteins in cells and animal models and ultimately impact human health. Representative research directions include: 1. COVID-19 drug discovery via small-molecule-induced targeted protein inhibition and degradation 2. Late-stage functionalization of drugs and peptides and its applications in drug discovery

Patents

  • Liu, W. R.; Fierke, C. A.; Xu, S.; Yang, K.; Ma, X.; Ma, Y.; Alugubelli, Y. R.; Vatansever, E. C.; Cho, C.-C.; Geng Z. Z.; Khatua, K. “SARS-CoV-2 main protease inhibitors”, 2022, US17/719,870
  • Liu, W. R.; Yang, K.; Vatansever, E. C.; Xu, S. “Compositions and methods for inhibition of SARS-CoV-2 viral infections”, 2020, US17/748,351
  • Negishi, E.; Xu, S.; Qi, Q.; Yang, X. “Chiral α-amino tertiary boronic esters”, 2020, US16/519,037

Representative Publications

  1. Cao, W.; Cho, C.-C. D.; Geng Z. Z.; Ma, X. R.; Allen, R.; Shaabani, N.; Vatansever, E. C.; Alugubelli, Y. R.; Ma, Y.; Ellenburg, W. H.; Yang, K. S.; Qiao, Y.; Ji, H.*; Xu, S.*; Liu, W. R.* “Evaluation of SARS-CoV-2 main protease inhibitors using a novel cell-based assay.” ACS Cent. Sci., 2022, 8, 192-204.
  2. Alugubelli, Y. R.; Geng, Z. Z.; Yang, K. S.; Shaabani, N.; Khatua, K.; Ma, X. R.; Vatansever, E. C.; Cho, C.-C.; Ma, Y.; Xiao, J.; Blankenship, L. R.; Yu, G.; Sankaran, B.; Li, P.; Allen, R.; Ji, H.*; Xu, S.*; Liu, W. R.* “A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.” Eur. J. Med. Chem. 2022, 240, 114596.
  3. Ma, Y.; Yang, K.; Geng, Z.; Alugubelli, Y.; Shaabani, N.; Vantasever, C.; Ma, X.; Cho, C.; Khatua, K.; Blankenship, L.; Li, P.; Allen R.; Ji, H.*; Xu, S.*; Liu. W.R.* “A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals”.  Eur. J. Med. Chem. 2022, 240, 114570.
  4. Yang, K.; Kuo, S-T.; Blankenship, L.; Sheng, Y.; Sankaran, B.; Li, P.; Fierkee, C.A.; Russell, D.H.; Yan, X.; Xu, S.*; Liu. W.R.*. “A Novel Y-Shaped, S–O–N–O–S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.” ACS Chem. Biol. 2022, doi.org/10.1021/acschembio.2c00695.
  5. Ma, X.; Alugubelli, Y.; Ma, Y.; Vantasever, C.; Scott, D.; Qiao, Y.; Yu, G.; Xu, S.*; Liu. W.R.* “MPI8 is Potent against SARS-CoV-2 by Inhibiting Dually and Selectively the SARS-CoV-2 Main Protease and the Host Cathepsin L”, ChemMedChem 2022, 17, 202100456.
  6. Yang, K.; Leeuwon. S.; Xu, S.; Liu, W. R*. “Evolutionary and structural insights about potential SARS-CoV-2 evasion of nirmatrelvir”. J. Med. Chem. 2022, 65, 8686-8698.
  7. Cho, C.; Li, S.; Yang, K.; Lalonde, T.; Yu, G.; Qiao, Y.; Xu, S.*; Liu. W.R.* “Drug Repurposing for the SARS-CoV-2 Papain-Like Protease”, ChemMedChem 2022, 17, e202100455.
  8. Yang, K.; Kuo, S-T.; Blankenship, L.; Geng, Z.; Li, S.; Russell, D.; Yan, X.; Xu, S.*; Liu, W. R*. “Repurposing Halicin as a Potent Covalent Inhibitor for the SARS-CoV-2 Main Proteas”. Current Research in Chemical Biology (CRCHBI), 2022, 100025.
  9. Li, S.; Yang, K.; Blankenship, L.; Xu, S.*; Wang, H.*; Liu, W. R.* “An Enhanced Hybrid Screening Approach to Identify Potent Inhibitors for the SARS-CoV-2 Main Protease from the NCI Compound Library”. Front. Chem., 2022, 816576.
  10. Cheng, H.; Yang, T.; Edwards, M.; Tang, S.; Xu, S.*; Yan, X*. “Picomole-scale transition metal electrocatalysis screening platform for discovery of mild C–C coupling and C–H arylation through in situ anodically generated cationic Pd.” J. Am. Chem. Soc. 2022, 144, 1306-1312.
  11. Huang, K-H.; Ghosh, J.; Xu, S.*; Cooks, R. G.* “Late-Stage Functionalization and Characterization of Drugs by High-Throughput Desorption Electrospray Ionization Mass Spectrometry”. ChemPlusChem 2022, 87, e202100449.
  12. Fu, X.; Qi, Q.; Xu, S.*; Negishi, E. “Chemo-and Stereoselective Dearomative Coupling of Indoles and Bielectrophilic β-Imino Boronic Esters via Imine-Induced 1,2-Boronate Migration”. Org. Lett. 2021, 23, 8984-8988.
  13. Yang, K.; Ma, X.; Ma, Y.; Alugubelli, Y. R.; Scott, D. A.; Vatansever, E. C.; Drelich, A. K.; Sankaran, B.; Geng, Z.; Blankenship, L. R.; Ward, H. E.; Sheng, Y.; Hsu, J. C.; Kratch, K. C.; Zhao, B.; Hayatshahi, H. S.; Liu, J.; Li, P.; Fierke, C. A.; Tseng, C.-T. K.;* Xu, S.*; Liu, W. R.* “A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors.” ChemMedChem 2021, 16, 942-949.
  14. Morse, J. S.; Lalonde, T.; Xu, S.*; Liu, W. R.* “Learning from the past: possible urgent prevention and treatment options for severe acute respiratory infections caused by 2019‐nCoV.” ChemBioChem 2020, 21, 730-738.
  15. Tharp, J.M.; Hampton, J.T.; Reed. C.A.; Ehnbom, A.; Chen. P.C.; Morse, J.S.; Kurra, Y.; Perez. L.M.; Xu, S.*; Liu. W.R.* “A Phage-Displayed, Active Site-Directed Ligand Evolution Technique”, Nat. Commun. 2020, 11, 1392.
  16. Qi, Q.; Yang, X.; Fu, X.; Xu, S.*; Negishi, E.* “Highly enantiospecific borylation for chiral α‐amino tertiary boronic esters.” Angew. Chem. Int. Ed., 2018, 57, 15138-15142.
  17. Xu, S.; Wang, C.; Komiyama, M.; Tomonari, Y.; Negishi, E.* “Asymmetric synthesis of chiral cyclopentanes bearing an all-carbon quaternary stereocenter via Zr-catalyzed doubled carboalumination.” Angew. Chem. Int. Ed., 2017, 56, 11502-11505.
  18. Xu, S.*; Negishi, E.* “Zirconium-catalyzed asymmetric carboalumination of unactivated terminal alkenes.” Acc. Chem. Res., 2016, 49, 2158-2168.
  19. Xu, S.; Oda, A.; Li, H.; Bobinski, T.; Matsueda, Y.; Negishi, E.* “Highly efficient, convergent, and enantioselective synthesis of phthioceranic acid.” Angew. Chem. Int. Ed. 2015, 54, 9319-9322.
  20. Xu, S.; Oda, A.; Kamada, H.; Negishi, E.* “Highly enantioselective synthesis of γ-, δ-, and ε-chiral 1-alkanols via Zr-catalyzed asymmetric carboalumination of alkenes (ZACA)–Cu- or Pd-catalyzed cross-coupling.” Proc. Natl. Acad. Sci. USA, 2014, 111, 8368-8373.
 
*as Corresponding Author
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