Skripsi
STUDI IN SILICO PENELUSURAN AGEN TERAPI ANTIHIPERTENSI EKSTRAK KULIT BATANG KEMANG (Mangifera caesia Jack.)
Hypertension is a major cardiovascular disease that plays a major role in increasing the risk of heart disease and stroke. Pathophysiologically, hypertension is associated with endothelial dysfunction, decreased nitric oxide (NO) bioavailability, increased oxidative stress, and impaired regulation of vascular tone. Conventional antihypertensive therapy still has limitations, so safer and potentially multitarget alternatives derived from natural ingredients are needed. The bark of the kemang (Mangifera caesia Jack.) stem is known to contain bioactive compounds that have potential antioxidant and antihypertensive activities. This study aims to explore the potential of active compounds from kemang stem bark extract as antihypertensive agents using an in silico approach. Test compounds were selected based on drug-likeness criteria using Lipinski's rule and Veber's parameters. Next, molecular docking was performed against the main target proteins of hypertension, namely angiotensin-converting enzyme (ACE), AKT1, endothelial nitric oxide synthase (NOS3), and matrix metalloproteinase-2 (MMP2). Docking results showed that gallic acid compounds have good binding affinity with the AKT1, MMP2, NOS3, and ACE enzymes, respectively at -4.323 kcal/mol, -4.633 kcal/mol, -4.611 kcal/mol, and -9.033 kcal/mol. These findings indicate that the extract of kemang stem bark has the potential to be developed as a candidate antihypertensive agent and needs to be studied further through experimental research.