Computational screening of potential bromodomain-containing protein 2 inhibitors for blocking SARS-CoV-2 infection through pharmacophore modeling, molecular docking and molecular dynamics simulation

Computational screening of potential bromodomain-containing protein 2 inhibitors for blocking SARS-CoV-2 infection through pharmacophore modeling, molecular docking and molecular dynamics simulation

Recently, human bromodomain-containing protein 2 (BRD2) has been reported as a potential drug target in host cells to combat SARS-CoV-2 as well as to treat COVID-19. In this study, we aimed to screen potential BRD2 inhibitors as anti- SARS-CoV-2 agents through computational approach. A pharmacophore...

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Bibliographic Details
Main Authors:	Shaohua Xu, Huicheng Yuan, Ling Li, Kai Yang, Liangcun Zhao
Format:	Article
Language:	English
Published:	Elsevier 2024-01-01
Series:	Arabian Journal of Chemistry
Subjects:	Pharmacophore Molecular docking Molecular dynamics simulation SARS-CoV-2 Bromodomain-containing protein 2
Online Access:	http://www.sciencedirect.com/science/article/pii/S1878535223008274

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