Prediction of Anti-Hypertensive Potential of Siddha Formulation – Sagalanoi Chooranam against Angiotensin-Converting Enzyme (ACE): A Computational Approach

Abstract

Hypertension, one of the top non-communicable diseases in the world, is a significant risk factor for the nephritic syndrome, coronary disease, heart failure, stroke and a host of other cardiovascular conditions which can be well-treated or controlled by Angiotensin Converting Enzyme (ACE) inhibitors. About 20-97% of hypertensive patients taking anti-hypertensive drugs experience side effects. Siddha's literature has numerous drugs capable of lowering hypertension which could be used as an alternative or supportive to anti-hypertensive drugs. Since hypertensive patients need medication throughout their lifetime to maintain their blood pressure, showing concern in choosing their regular medicines and their safety is mandatory. The present study investigatedq the anti-hypertensive activity of Sagalanoi Chooranam using computational analysis. The structure of the target protein (Angiotensin Converting Enzyme -PDB id 1O86) and selected ligands from the ingredients of Sagalanoi Chooranam were collected from databases. Docking studies were performed using Auto Dock Software Version 4. The performed docking studies showed satisfying results with the binding affinity energy of -7.80, -6.25, -6.19 and -6.00 kcal/mol for Glycyrehhtic Acid, biotin, Isoginkgetin and β-Caryophyllene, respectively against a target protein, Angiotensin Converting Enzyme. These bioactive compounds show better results than the standard drug, Captopril. On this basis, it was revealed that the phytochemicals of the ingredients of Siddha formulation Sagalanoi Chooranam were expected to show anti-hypertensive activity by inhibiting Angiotensin Converting Enzyme.