NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors

Author:

Li Guo-Bo12345,Abboud Martine I.1234ORCID,Brem Jürgen1234,Someya Hidenori12346,Lohans Christopher T.1234,Yang Sheng-Yong7891011,Spencer James121314154,Wareham David W.161718194,McDonough Michael A.1234ORCID,Schofield Christopher J.1234ORCID

Affiliation:

1. Department of Chemistry

2. University of Oxford

3. Oxford

4. UK

5. Key Laboratory of Drug Targeting and Drug Delivery System of Ministry of Education

6. Medicinal Chemistry Research Laboratories

7. State Key Laboratory of Biotherapy/Collaborative Innovation Center for Biotherapy

8. West China Hospital

9. West China Medical School

10. Sichuan University

11. Sichuan 610041

12. School of Cellular and Molecular Medicine

13. Biomedical Sciences Building

14. University of Bristol

15. Bristol BS8 1TD

16. Antimicrobial Research Group

17. Barts & The London School of Medicine and Dentistry

18. Queen Mary University of London

19. London

Abstract

NMR-filtered virtual screening led to the identification of non-Zn(ii)-chelating metallo-β-lactamase inhibitors, which mimic interactions made by the bicyclic β-lactam antibiotic substrates as they initially bind to the enzymes.

Funder

Wellcome Trust

Medical Research Council

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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