Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors

Targeting SARS-CoV-2 papain-like protease using inhibitors is a suitable approach for inhibition of virus replication and dysregulation of host anti-viral immunity. Engaging all five binding sites far from the catalytic site of PLpro is essential for developing a potent inhibitor. We developed and v...

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Detalles Bibliográficos
Autores principales: Thangavel, Neelaveni, Albratty, Mohammed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Author(s). Published by Elsevier B.V. on behalf of King Saud University. 2022
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554199/
https://www.ncbi.nlm.nih.gov/pubmed/36246784
http://dx.doi.org/10.1016/j.arabjc.2022.104334

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554199/
https://www.ncbi.nlm.nih.gov/pubmed/36246784
http://dx.doi.org/10.1016/j.arabjc.2022.104334

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