Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT

The COVID-19 pandemic has accelerated the study of drugs, most notably ivermectin and more recently Paxlovid (PF-07321332) which is in phase III clinical trials with experimental data showing covalent binding to the viral protease M(pro). Theoretical developments of catalytic site-directed docking s...

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Detalles Bibliográficos
Autores principales: Alvarado, Ysaias José, Olivarez, Yosmari, Lossada, Carla, Vera-Villalobos, Joan, Paz, José Luis, Vera, Eddy, Loroño, Marcos, Vivas, Alejandro, Torres, Fernando Javier, Jeffreys, Laura N., Hurtado-León, María Laura, González-Paz, Lenin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9107165/
https://www.ncbi.nlm.nih.gov/pubmed/35640480
http://dx.doi.org/10.1016/j.compbiolchem.2022.107692

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