Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-β-Lactamase in the Imine Form-Reference-Cited by-同舟云学术

Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-β-Lactamase in the Imine Form

Published:2021-10-12 Issue:12 Volume:61 Page:5988-5999
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Twidale Rebecca M.¹^ORCID,Hinchliffe Philip²^ORCID,Spencer James²^ORCID,Mulholland Adrian J.¹^ORCID

Affiliation:

1. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, U.K.

2. School of Cellular and Molecular Medicine, University of Bristol, Biomedical Sciences Building, University Walk, Bristol BS8 1TD, U.K.

Funder

Engineering and Physical Sciences Research Council

National Institute of Allergy and Infectious Diseases

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00663

Reference72 articles.

1. Global increase and geographic convergence in antibiotic consumption between 2000 and 2015

2. Three Decades of β-Lactamase Inhibitors

3. Antibiotic resistance: The last resort

4. Carbapenems: Past, Present, and Future

5. One ring to rule them all: Current trends in combating bacterial resistance to the β-lactams

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