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

Xu, Shaohua; Yuan, Huicheng; Li, Ling; Yang, Kai; Zhao, Liangcun

doi:10.1016/j.arabjc.2023.105365

Arabian Journal of Chemistry

2024

DOI: 10.1016/j.arabjc.2023.105365

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

Shaohua Xu,

Huicheng Yuan,

Ling Li

et al.

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Cited by 4 publications

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

Cited by 4 publications

References 56 publications

Design and evaluation of piperidine carboxamide derivatives as potent ALK inhibitors through 3D-QSAR modeling, artificial neural network and computational analysis

Design and evaluation of piperidine carboxamide derivatives as potent ALK inhibitors through 3D-QSAR modeling, artificial neural network and computational analysis

Modification of glycosyltransferase SrUGT76G1 based on computer-aided screening of mutation sites for efficient synthesis of rebaudioside M

In-silico design novel phenylsulfonyl furoxan and phenstatin derivatives as multi-target anti-cancer inhibitors based on 2D-QSAR, molecular docking, dynamics and ADMET approaches

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