In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations

The SARS-CoV-2 targets were evaluated for a set of FDA-approved drugs using a combination of drug repositioning and rigorous computational modeling methodologies such as molecular docking and molecular dynamics (MD) simulations followed by binding free energy calculations. Six FDA-approved drugs inc...

Descripción completa

Detalles Bibliográficos
Autores principales: Qayed, Wesam S., Ferreira, Rafaela S., Silva, José Rogério A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9505381/
https://www.ncbi.nlm.nih.gov/pubmed/36144718
http://dx.doi.org/10.3390/molecules27185988

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9505381/
https://www.ncbi.nlm.nih.gov/pubmed/36144718
http://dx.doi.org/10.3390/molecules27185988

Ejemplares similares