Molecular docking and dynamics studies on propolis sulabiroin-A as a potential inhibitor of SARS-CoV-2

Molecular docking and dynamics studies on propolis sulabiroin-A as a potential inhibitor of SARS-CoV-2

Molecular docking and dynamics simulations were conducted to investigate the antiviral activity of Propolis Sulabiroin-A to inhibit the SARS-CoV-2 virus with quercetin, hesperidin, and remdesivir as control ligands. The parameters calculated were docking score and binding energy/molecular mechanics-...

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Detalles Bibliográficos
Autores principales: Jaka Fajar Fatriansyah, Raihan Kenji Rizqillah, Muhamad Yusup Yandi, Fadilah, Muhamad Sahlan
Formato: Artículo
Lenguaje:English
Publicado: Elsevier 2022-01-01
Colección:Journal of King Saud University: Science
Materias:
SARS-CoV-2
Molecular docking
Molecular dynamics
Drug discovery
Sulabiroin-A
Acceso en línea:http://www.sciencedirect.com/science/article/pii/S1018364721003694

Internet

http://www.sciencedirect.com/science/article/pii/S1018364721003694

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