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In-Silico Lead Druggable Compounds Identification against SARS COVID-19 Main Protease Target from In-House, Chembridge and Zinc Databases by Structure-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations

Pharmacological strategies to lower the viral load among patients suffering from severe diseases were researched in great detail during the SARS-CoV-2 outbreak. The viral protease M(pro) (3CLpro) is necessary for viral replication and is among the main therapeutic targets proposed, thus far. To stop...

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Detalles Bibliográficos
Autores principales:	Ghufran, Mehreen, Ullah, Mehran, Khan, Haider Ali, Ghufran, Sabreen, Ayaz, Muhammad, Siddiq, Muhammad, Abbas, Syed Qamar, Hassan, Syed Shams ul, Bungau, Simona
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9854631/ https://www.ncbi.nlm.nih.gov/pubmed/36671672 http://dx.doi.org/10.3390/bioengineering10010100

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