Molecular docking of some alkaloid compounds of pule pandak plant (Rauvolfia serpentina L.) towards angiotensin converting enzyme as antihypertension
Abstract
Every year, 1.5 billion people suffer from hypertension and 9.4 million people die from hypertension and complications. so that the development of hypertension drugs with natural compounds. The aim of this research is to analyze the activity of alkaloid compounds in the pule pandak plant (Rauvolfia serpentina L.) as an antihypertensive agent using an in silico approach through a molecular docking procedure. The four alkaloid compounds explored, namely ajmalina, rescinnamine, reserpine, and serpentina, were assessed against the target protein 1UZF. The low binding energy value indicates that ajmalina has a strong affinity for the target protein, so it has the potential to be an effective antihypertensive agent. The docking results show the lowest binding energy in ajmalina, with a value of -5.89 kcal/mol, indicating greater potential compared to other compounds. Reserpine showed the most residue interactions with 11 residue interactions and 2 hydrogen bonds, indicating significant bond strength. This research contributes to understanding the potential of alkaloid compounds from the pule pandak plant as an antihypertensive agent through a computational molecular docking approach
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