2-Phenoxyacetamide derivatives as SARS-CoV-2 main protease inhibitor: In silico studies.

ABSTRACT: 2-Phenoxyacetamide group has been identified as one of markers in the discovery and development of SARS-CoV-2 antiviral agent through its main protease (M^pro) inhibition pathway. This study aims to study a series of 2-phenoxyacetamide derivatives using in silico method toward SARS-CoV-2 M^pro as the protein target. The study was initiated by employing structure-based pharmacophore to virtually screen and to select the ligands, which have the best fit score (hits) along with the common pharmacophore features being matched. The result shows that from the 11 ligands designed, four ligands are selected as the hits by demonstrating fit score in the range of 56.20 to 65.53 to the pharmacophore model, employing hydrogen bond acceptor (HBA) and hydrophobic (H) as the co

SUBMITTER: Hariyono P 

PROVIDER: S-EPMC8666106 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature