Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via Combining Fragment-Based Drug Design, Docking, Molecular Dynamics, and MM-PBSA Calculations

Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via Combining Fragment-Based Drug Design, Docking, Molecular Dynamics, and MM-PBSA Calculations

The world has recently been struck by the SARS-Cov-2 pandemic, a situation that people have never before experienced. Infections are increasing without reaching a peak. The WHO has reported more than 25 million infections and nearly 857,766 confirmed deaths. Safety measures are insufficient and ther...

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Bibliographic Details
Main Authors: Mahmoud A. El Hassab, Aly A. Shoun, Sara T. Al-Rashood, Tarfah Al-Warhi, Wagdy M. Eldehna
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-10-01
Series:Frontiers in Chemistry
Subjects:
COVID-19
polymerase inhibitors
fragment-based drug design
molecular dynamics
MM-PBSA calculations
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2020.584894/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2020.584894/full

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