Repurposing Remdesivir for COVID-19: Computational Drug Design Targeting SARS-CoV-2 RNA Polymerase and Main Protease using Molecular Dynamics Approach
Mita Shikder, Kazi Ahsan Ahmed, Abu Tayab Moin, Rajesh B. Patil, Tasnin Al Hasib, Mohammad Imran Hossan, Deera Mahasin, Mohammad Najmul Sakib, Iqrar Ahmed, Harun Patel, Afrin Sultana Chowdhury
This study designs remdesivir derivatives targeting SARS-CoV-2 RdRp and MPro using molecular docking and dynamics simulations to improve efficacy and stability.
bioRxiv · Jun 15, 2023 · PreprintBioinformatics