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...
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: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535223008274 |
Similar Items
-
Pyronaridine as a Bromodomain-Containing Protein 4-<i>N</i>-Terminal Bromodomain (BRD4-BD1) Inhibitor: <i>In Silico</i> Database Mining, Molecular Docking, and Molecular Dynamics Simulation
by: Mahmoud A. A. Ibrahim, et al.
Published: (2023-07-01) -
Ligand-Based Pharmacophore Modeling, Molecular Docking, and Molecular Dynamic Studies of Dual Tyrosine Kinase Inhibitor of EGFR and VEGFR2
by: Frangky Sangande, et al.
Published: (2020-10-01) -
Pharmacophore study, molecular docking and molecular dynamic simulation of virgin coconut oil derivatives as anti-inflammatory agent against COX-2
by: Kho Swen Jack, et al.
Published: (2022-10-01) -
Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies
by: Marwa A. Fouad, et al.
Published: (2024-02-01) -
Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
by: Yi Zhang, et al.
Published: (2020-09-01)