Dynamic Profiling and Binding Affinity Prediction of NBTI Antibacterials against DNA Gyrase Enzyme by Multidimensional Machine Learning and Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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Dynamic Profiling and Binding Affinity Prediction of NBTI Antibacterials against DNA Gyrase Enzyme by Multidimensional Machine Learning and Molecular Dynamics Simulations

Published:2024-04-11 Issue:16 Volume:9 Page:18278-18295
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Kokot Maja¹²,Minovski Nikola¹^ORCID

Affiliation:

1. Laboratory for Cheminformatics, Theory Department, National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia

2. The Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Ljubljana, Aškerčeva cesta 7, 1000 Ljubljana, Slovenia

Funder

Javna Agencija za Raziskovalno Dejavnost RS

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.4c00036

Reference92 articles.

1. World Health Organization, 2022. https://www.who.int/news/item/27-02-2017-who-publishes-list-of-bacteria-for-which-new-antibiotics-are-urgently-needed.

2. Global burden of bacterial antimicrobial resistance in 2019: a systematic analysis

3. Review on Antimicrobial Resistance, 2022. https://amr-review.org/sites/default/files/AMR Review Paper-Tackling a crisis for the health and wealth of nations_1.pdf.

4. DNA gyrase and topoisomerase IV: biochemical activities, physiological roles during chromosome replication, and drug sensitivities

5. DNA Topoisomerases

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