Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing

Dey, D; Paul, PK; Al Azad, S; Al Mazid, MF; Khan, AM; Sharif, MA; Rahman, MH

Al Azad, S (corresponding author), Jiangnan Univ, Sch Biotechnol, Fermentat Engn Major, Wuxi, Jiangsu, Peoples R China.

JOURNAL OF ADVANCED VETERINARY AND ANIMAL RESEARCH, 2021; 8 (1): 24

Abstract

Objectives: The comprehensive in silico study aims to figure out the most effective aromatic phytochemical ligands among a number from a library, cons......

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