Molecular dynamics simulation analysis of alpha-cobra toxin docked with phytochemical compounds

Bioinformation. 2022 Sep 30;18(9):834-840. doi: 10.6026/97320630018834. eCollection 2022.

Abstract

It is of interest to document data on the molecular dynamics simulation analysis of alpha-cobratoxin docked with phytochemical compounds. This can be used as effective drug candidates against the snake and scorpion venom. It should be noted experimental verification is needed to further validate the current data.

Keywords: Alpha-cobra toxin; drug targets; molecular docking; scorpion venom; snake venom.