Multi-stage structure-based virtual screening approach towards identification of potential SARS-CoV-2 NSP13 helicase inhibitors

Multi-stage structure-based virtual screening approach towards identification of potential SARS-CoV-2 NSP13 helicase inhibitors

On account of its crucial role in the virus life cycle, SARS-COV-2 NSP13 helicase enzyme was exploited as a promising target to identify a novel potential inhibitor using multi-stage structure-based drug discovery approaches. Firstly, a 3D pharmacophore was generated based on the collected data from...

Full description

Bibliographic Details
Main Authors: Mahmoud A. El Hassab, Wagdy M. Eldehna, Sara T. Al-Rashood, Amal Alharbi, Razan O. Eskandrani, Hamad M. Alkahtani, Eslam B. Elkaeed, Sahar M. Abou-Seri
Format: Article
Language:English
Published: Taylor & Francis Group 2022-12-01
Series:Journal of Enzyme Inhibition and Medicinal Chemistry
Subjects:
sars cov-2 nsp13 helicase
protein-ligand interaction fingerprint
structure-based pharmacophore
docking
molecular dynamics simulations
Online Access:http://dx.doi.org/10.1080/14756366.2021.2022659

Internet

http://dx.doi.org/10.1080/14756366.2021.2022659

Similar Items