Computational guided identification of potential leads from Acacia pennata (L.) Willd. as inhibitors for cellular entry and viral replication of SARS-CoV-2.

ABSTRACT:

Background

Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) started in 2019 and is still an on-going pandemic. SARS-CoV-2 uses a human protease called furin to aid in cellular entry and its main protease (M^pro) to achieve viral replication. By targeting these proteins, scientists are trying to identify phytoconstituents of medicinal plants as potential therapeutics for COVID-19. Therefore, our study was aimed to identify promising leads as potential inhibitors of SARS-CoV-2 M^pro and furin using the phytocompounds reported to be isolated from Acacia pennata (L.) Willd.

Results

A total of 29 phytocompounds were reported to be isolated from A. pennata. Molecular docking simulation stud

SUBMITTER: Zothantluanga JH 

PROVIDER: S-EPMC8502097 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature