Identification of Natural Inhibitors Against SARS-CoV-2 Drugable Targets Using Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Approach

The present study explores the SARS-CoV-2 drugable target inhibition efficacy of phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics (MD) simulation, and MM-PBSA analysis. A total of 130 phytochemicals were screened against SARS-CoV-2 Spike (S)-protein, RNA-depend...

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Detalles Bibliográficos
Autores principales: Kushwaha, Prem Prakash, Singh, Atul Kumar, Bansal, Tanya, Yadav, Akansha, Prajapati, Kumari Sunita, Shuaib, Mohd, Kumar, Shashank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Cellular and Infection Microbiology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8387699/
https://www.ncbi.nlm.nih.gov/pubmed/34458164
http://dx.doi.org/10.3389/fcimb.2021.730288

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8387699/
https://www.ncbi.nlm.nih.gov/pubmed/34458164
http://dx.doi.org/10.3389/fcimb.2021.730288

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