Toward the Identification of Potential α-Ketoamide Covalent Inhibitors for SARS-CoV-2 Main Protease: Fragment-Based Drug Design and MM-PBSA Calculations

Toward the Identification of Potential α-Ketoamide Covalent Inhibitors for SARS-CoV-2 Main Protease: Fragment-Based Drug Design and MM-PBSA Calculations

Since December 2019, the world has been facing the outbreak of the SARS-CoV-2 pandemic that has infected more than 149 million and killed 3.1 million people by 27 April 2021, according to WHO statistics. Safety measures and precautions taken by many countries seem insufficient, especially with no sp...

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Bibliographic Details
Main Authors: Mahmoud A. El Hassab, Mohamed Fares, Mohammed K. Abdel-Hamid Amin, Sara T. Al-Rashood, Amal Alharbi, Razan O. Eskandrani, Hamad M. Alkahtani, Wagdy M. Eldehna
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Processes
Subjects:
SARS-CoV-2 main protease inhibitor
COVID-19 treatment
structure-based drug design
molecular docking
molecular dynamics
Online Access:https://www.mdpi.com/2227-9717/9/6/1004

Internet

https://www.mdpi.com/2227-9717/9/6/1004

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