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November 7, 2026
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Abstract

Hypertension is a chronic disease that significantly contributes to global mortality, often presenting without symptoms but potentially leading to serious complications. Angiotensin-converting enzyme (ACE) inhibitors are one of the first-line therapies for hypertension, working by reducing the formation of angiotensin II. Wax apple (Syzygium samarangense) leaves have been studied for their potential pharmacological activities, including in maintaining blood pressure. This study aims to evaluate the potential of secondary metabolites from wax apple leaves as ACE inhibitor candidates using an in silico approach, including Lipinski’s Rule of Five (Ro5) screening, ADMET prediction, pharmacophore modeling, and molecular docking. A total of 22 compounds were tested, with β-sitosteryl stearate showing the highest binding affinity to the ACE receptor, indicated by its low binding energy and strong interactions with key residues at the active site. Meanwhile, gallic acid was identified as a hit compound through pharmacophore modeling and demonstrated favorable ADMET properties. These findings support the potential of Syzygium samarangense as a natural source of antihypertensive compounds and provide a foundation for further research in the development of computational-based herbal medicines.

Keywords

ACE inhibitors antihypertensive computer-aided drug design wax apple

Article Details

Copyright (c) 2026 Syifa Fitriyani, Alia Azka Permana, Nasywa Rahmatun Nissa, Fakhira Zahira Zahra, Dzava Prawinsyah Fairus Ismail, Bintang Satrio Mahardika, Dhania Novitasari

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This work is licensed under a Creative Commons Attribution 4.0 International License.

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