ANTIHYPERTENSIVE POTENTIAL OF ORTHOSIPHON STAMINEUS COMPOUNDS TARGETING ANGIOTENSIN-CONVERTING ENZYME AND L-TYPE CALCIUM CHANNELS: A MOLECULAR DOCKING STUDY

Hypertension is a major cardiovascular disease that significantly contributes to global morbidity and mortality. Inhibition of Angiotensin-Converting Enzyme (ACE) and modulation of L-type calcium channels (Cav1.3) are two critical targets in antihypertensive therapy. This study aimed to explore the antihypertensive potential of bioactive compounds from Orthosiphon stamineus using an in silico approach. Molecular docking was performed against ACE (PDB ID: 7Q26) and Cav1.3 (PDB ID: 8E59), and their pharmacokinetic and toxicity profiles were evaluated. Molecular docking was performed using AutoDock Vina within the PyRx software, and ligand–protein interactions were analyzed using the Biovia Discovery Studio Visualizer. The ADMET properties were predicted using pkCSM. The results indicated that most compounds, particularly flavonoids such as sinensetin, eupatorin, and 3?-hydroxy-5,6,7,4?-tetramethoxyflavone, met the drug-likeness criteria, exhibited high intestinal absorption, and demonstrated favorable safety profiles. Docking analysis revealed stable hydrogen bonds and hydrophobic interactions with key residues in both protein targets. Overall, these findings suggest that bioactive compounds from Orthosiphon stamineus have potential as antihypertensive candidates through ACE inhibition and Cav1.3 modulation. However, further in vitro and in vivo studies are required to confirm the efficacy and safety of these compounds. Keywords: Hypertension; Orthosiphon stamineus; ACE inhibitor; Cav1.3; Molecular docking; In silico