In silico drug discovery in traditional medicinal plants- a review

Abstract

Medicinal plants have been a rich source of therapeutic traders for centuries. They have offered many bioactive compounds with gigantic pharmacological potential. Nevertheless, classical drug discovery from plants is often slow, time-consuming, and expensive. In recent years, in-silico protocols have been found to be useful tools to speed up and systematize this process. Computational strategies coupled with molecular docking, pharmacophore modeling, virtual screening, and ADMET prediction allow scientists to quickly identify and analyze plant-derived molecules with strong interactions against novel organic targets. This approach unites traditional know-how with current technology, offering novel perspectives for herbal product research and opening gates to the development of safe, efficient, and affordable plant-based altogether therapeutics. This review highlights various insilico studies including databases, computational tools & techniques, softwares used to identifying, designing, and optimising the drug molecule and predict the protein binding of drug, suitability of drug to specific diseases.