In Silico Study of Compound Extract In Soursop Plant (Annona muricata) as Ace Inhibitor In Hypertension Disease

Abstract

Hypertension is one of the risk factors for cardiovascular disease that has become a serious global health problem. In terms of searching for active compounds that have the potential as antihypertensives, phytochemical studies on natural ingredients are continuously being carried out. One of them is soursop which is known to be able to lower blood pressure in people with hypertension. Alkaloids contained in soursop leaves can work as Angiotensin Converting Enzyme Inhibitor hat reduce ADH hormone secretion. This research was conducted to find out the antihypertensive potential of natural compounds in soursop leaves that interact with ACEI. The research was carried out in two steps, namely molecular anchoring and pharmacophore modeling. Based on the research that has been done, Anomuricine is the compound with the most potential interaction with ACEI with a Gibbs free energy of -9.13 kcal/mol and an inhibition constant of 202.83 uM. In addition, the Anomuricine compound has a lower binding energy than the standard ligand binding energy. Thus, it can be said that Anomuricine from soursop leaves (Annona muricata) has the potential as a lead compound.

In Silico ADME and Molecular Simulation Studies of Pharmacological Activities of Phytoconstituents of Annona muricata (L.) Fruit

“…Computational methods play a crucial role in expanding the understanding of the plant's medicinal applications and its mechanism of action. Previous computational studies have explored A. muricata's potential in treating hypertension by targeting angiotensin I converting enzyme (Suhandi et al, 2022), and antimalarial effect by analyzing interaction with six Plasmodium falciparum proteins (Nwonuma et al, 2023). Computational study of anti-prostate cancer potential of showed binding affinities between -9.854 and 8.179 kcal.…”