Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is a serious global public health threat. The evolving strains of SARS-CoV-2 have reduced the effectiveness of vaccines. Therefore, antiviral drugs against SARS-CoV-2 are urgently needed. The main protease (Mpro) of SARS-CoV-2 is...

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Detalles Bibliográficos
Autores principales: Oubahmane, Mehdi, Hdoufane, Ismail, Delaite, Christelle, Sayede, Adlane, Cherqaoui, Driss, El Allali, Achraf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10146715/
https://www.ncbi.nlm.nih.gov/pubmed/37111365
http://dx.doi.org/10.3390/ph16040608

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10146715/
https://www.ncbi.nlm.nih.gov/pubmed/37111365
http://dx.doi.org/10.3390/ph16040608

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