Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach.

ABSTRACT: Covid-19 is an emerging infectious disease caused by coronavirus SARS-CoV-2. Due to the rapid rise in deaths resulted from this infection all around the world, the identification of drugs against this new coronavirus is an important requirement. Among the drugs that can fight this type of infection; natural products are substances that serve as sources of beneficial chemical molecules for the development of effective therapies. In this study, Camphor, Artemisinin and 14 Sumac phytochemicals were docked in the active site of SARS-CoV-2 main protease (PDB code: 6LU7). We have also performed molecular dynamic simulation at 100 ns with MM-GBSA/PBSA analysis for the structures with the best affinity in the binding site of the studied enzyme (Hinokiflavone and Myricetin) after docking calculatio

SUBMITTER: Belhassan A 

PROVIDER: S-EPMC8354799 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature