Insilico Studies of Illicium Verum on Angiotensin-Converting Enzyme and Angiotensin II Receptor as Antihypertensive Agents Andri Tilaqza*, Zaenab Aqilah
Pharmacy Department, Medical Faculty, University of Islam Malang, Malang, Indonesia
*Corresponding author: andri.tilaqza[at]unisma.ac.id
Abstract
Illicium verum is one of the plants used empirically for hypertension and diabetes. It contains approximately 73 active compounds. This study aims to find out the candidates of active compounds that have the potential as antihypertensives. Active compounds that meet the Lipinski criteria were simulated against Angiotensin-Converting Enzymes and Angiotensin II Receptors using Captopril and Valsartan as reference drugs. The research method was carried out using computational simulations of molecular docking, then visualized using Biovia Discovery Studio Visualizer and pharmacokinetics prediction analysis through the pkcsm site. The results obtained 49 of the 73 compounds meeting the Lipinski criteria. There was 37 compounds having free energy value greater than captopril (-5.9 kCal/mol), including Catechins (-8.4 kCal/mol), Allo aromadendrene (-7.9 kCal/mol) and Longifolene (-7.8 kCal/mol). None of the compounds has free energy value greater than valsartan (-8.5 kCal/mol), including Delta cadinene (-7.9 kCal/mol), Alpha muurolene (-7.9 kCal/mol), Caryophyllene (-7.8 kCal/mol). Based on the similarity of chemical interactions, Alpha santalene, D-fenchone, Fenchone had similarities with Captopril, while Alpha Copaene, Santalene, Feniculin had similarities with Valsartan. Almost all compounds had a fairly good pharmacokinetic profile. Illicium verum has potential as an antihypertensive by molecular docking.
