Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold-Reference-Cited by-同舟云学术

Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold

Published:2021-12-22 Issue:1 Volume:7 Page:1150-1164
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Elseginy Samia A.¹^ORCID,Anwar Manal M.²

Affiliation:

1. Green Chemistry Department, Chemical Industries Research Division, National Research Centre, Dokki, Cairo 12622, Egypt

2. Therapeutical Chemistry Department, National Research Centre, Dokki, Cairo 12622, Egypt

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.1c05732

Reference48 articles.

1. An in-silico analysis reveals 7,7′-bializarin as a promising DNA gyrase B inhibitor on Gram-positive and Gram-negative bacteria

2. Synthesis, antimicrobial evaluation, and molecular docking studies of new tetrahydrocarbazole derivatives

3. Discovery and development of kibdelomycin, a new class of broad-spectrum antibiotics targeting the clinically proven bacterial type II topoisomerase

4. Resistance of Gram-Positive Bacteria to Current Antibacterial Agents and Overcoming Approaches

5. Cryo-EM structure of the complete E. coli DNA gyrase nucleoprotein complex

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