Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase-Reference-Cited by-同舟云学术

Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase

Published:2024-05-10 Issue:10 Volume:64 Page:3977-3991
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Cheng Zishuo¹,Aitha Mahesh²,Thomas Caitlyn A.¹,Sturgill Aidan¹,Fairweather Mitch¹,Hu Amy¹,Bethel Christopher R.³,Rivera Dann D.⁴,Dranchak Patricia²,Thomas Pei W.⁴,Li Han¹,Feng Qi¹,Tao Kaicheng¹,Song Minshuai¹,Sun Na¹,Wang Shuo¹,Silwal Surendra Bikram¹^ORCID,Page Richard C.¹^ORCID,Fast Walt⁴^ORCID,Bonomo Robert A.³⁵⁶⁷^ORCID,Weese Maria¹,Martinez Waldyn¹,Inglese James²⁸^ORCID,Crowder Michael W.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States

2. Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States

3. Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States

4. Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States

5. Departments of Medicine, Biochemistry, Molecular Biology and Microbiology, Pharmacology, and Proteomics and Bioinformatics, Case Western Reserve University School of Medicine, Cleveland ,Ohio 44106, United States

6. Clinician Scientist Investigator, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States

7. CWRU-Cleveland VAMC Center for Antimicrobial Resistance and Epidemiology (Case VA CARES) ,Cleveland ,Ohio 44106, United States

8. Metabolic Medicine Branch, National Human Genome Research Institute, National Institutes of Health, Bethesda ,Maryland 20817, United States

Funder

National Center for Advancing Translational Sciences

U.S. Department of Veterans Affairs

Office of Research and Development

National Institute of General Medical Sciences

Geriatric Research Education and Clinical Center

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c02015

Reference87 articles.

1. CDC. 2019 AR Threats Report. 2019. https://www.cdc.gov/drugresistance/biggest-threats.html.

2. Antimicrobial resistance and COVID-19: Intersections and implications

3. The realm of penicillin G acylase in β-lactam antibiotics

4. β-Lactamases and β-Lactamase Inhibitors in the 21st Century

5. B1-Metallo-β-Lactamases: Where Do We Stand?