Vol. 3, Issue 6 (2017)
Herbal inhibitors identified for renin and angiotensin converting enzymes by in silico structure based methods
Author(s): Sampoornam Balakrishnan, Shila Samuel
Abstract: The enzymes Renin and Aniotensin Converting Enzymes (ACE’s) are key enzymes associated with blood pressure, congestive heart failure and diabetic nephropathy. Renin is a protease, prohormone acting on free floating angiotensinogen. Three kinds of ACE’s namely (ACE, ACE2 ACET (Testicular)) in humans, are carboxy peptidases, membrane bound, one of the receptors of insulin, participating in signal transduction convertsf Angiotensin I to Angiotensin II, a potent vaso constrictor raising blood pressure. This study was proposed with the aim to identify herbal inhibitors for these enzymes. The herbals zinger and Pausinystalia yohimbe were selected as herbal inhibitors, contains alkaloids zingeberene and yohimbine. The 3D structure of the enzymes were predicted using Swiss model server and the target sites identified using Thematics server. The chemical structure of the ligands and peptide structure of the target sequences drawn using Argus lab software and then converted into Protein Data Bank (PDB) format. Finally the targets and ligands were docked using Hex software. Docking results on this ligands indicated that the ligands has a potency to bind to the target sites on the enzymes. The proposed, herbal inhibitors has shown all the desirable features of a potent inhibitor and hence it may be a potential lead compound.
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