Comparative chemical and antimicrobial evaluation of the essential oils from Callistemon and podocarpus species supported by in-silico molecular simulations against bacterial LacY protease

The plant species investigated are considered a vital source of safe antimicrobial volatile constituents that are recommended as bioactive entities for controlling microbial infection topically or systemically. The proposed mechanistic action encourages further modification of the major EOs chemical structure by adding more polar substitutions to improve the binding affinity and produce more active semisynthetic analogues.