Analysing potential phytoconstituents from Viscum album (Suvarnabandaaka) targeting RAAS-mediated hypertension and renal protection: An in-silico approach

Background and Aim: Hypertension is a significant health issue in the world that demands that natural options to synthetic drugs should be explored because of their side effects. One of the key causes of chronic kidney disease (CKD) is hypertension, which mainly causes dysregulation of renal RAAS signalling and vascular injury. This paper examines the antihypertensive effects of Viscum album by using in-silico molecular docking. Material and Methods: Phytoconstituents of Viscum album were identified using seven phytoconstituents based on the scores of their oral bioavailability and drug-likeness. AutoDock 4.5.6 molecular docking was done against the following key hypertensive targets: ACE, Angiotensin-II receptor, β-1 adrenergic receptor, and calcium channel. Biovia Discovery Studio was used to visualise the interactions. Result: The phytoconstituents had better binding affinities with the target proteins than the standard drugs. It was worth noting that Chlorogenic acid, Oleanolic acid and Betulinic acid displayed a high interaction with ACE as the binding energy of the substance was -11.90, -11.84 and -11.65 kcal/mol, which exceeded that of Captopril of -5.89 kcal/mol. In the case of the Angiotensin-II receptor, Oleanolic acid, Chlorogenic acid, and Syringin demonstrated binding energies of -11.66, -10.67 and -10.05 kcal/mol, outperforming losartan’s -9.21 kcal/mol. Syringin, Chlorogenic acid, and Quercetin exhibited robust binding with the β-1 adrenergic receptor, with energies of -13.82, 13.59, and -12.05 kcal/mol, respectively, compared to Propranolol’s -7.48 kcal/mol. Additionally,   Chlorogenic acid, Oleanolic acid, and Quercetin interacted strongly with the calcium channel, with binding energies of -7.24, -7.06, and -7.00 kcal/mol, respectively, exceeding amlodipine’s -4.59 kcal/mol. Conclusion: Such results indicate that Viscum album phytoconstituents can have a dual antihypertensive and nephroprotective action of regulating major renal targets.