Molecular Docking studies of chemical constituents of Rauwolfia serpentina on hypertension

Abstract

Hypertension is still a prevalent cardiovascular disorder which remains a major global health concern. Rauwolfia serpentina, renowned for its therapeutic potential in managing hypertension, harbors a diverse array of bioactive compounds. This study aimed to elucidate the molecular interactions of chemical constituents derived from Rauwolfia serpentina with key hypertensive targets through molecular docking simulations. Utilizing computational tool, a comprehensive library of phytoconstituents obtained from Rauwolfia serpentina was constructed and subjected to molecular docking analyses against human angiotensin receptor (4ZUD) as target protein. The results revealed significant binding affinities between the chemical constituents of Rauwolfia serpentina and the active sites of these molecular targets. This study bridges the knowledge gap regarding the molecular mechanisms underlying the antihypertensive effects of Rauwolfia serpentina's constituents through computational simulations. The identified compounds exhibiting strong binding affinities and favorable interactions serve as promising candidates for further in vitro and in vivo studies, offering avenues for the development of novel therapeutic agents for hypertension management.