Skripsi
NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING DALAM MEMPREDIKSI AKTIVITAS DIABETES MELLITUS DARI EKSTRAK DAUN MATOA (Pometia Pinnata)
Diabetes melitus (DM) is a chronic disease with a high prevalence in Indonesia, prompting the exploration of natural ingredients such as matoa (Pometia pinnata) leaves as a safer therapeutic alternative. This study aimed to identify bioactive compounds from matoa leaves using LC-HRMS, analyze their potential as antidiabetics through network pharmacology, and determine their interactions with target proteins through molecular docking. LC-HRMS analysis identified 403 metabolites, primarily composed of phenolics and flavonoids. A network pharmacology approach using STRING revealed 179 target proteins in 11 diabetes-related signaling pathways, with key proteins being AKT1, PPARG, PIK3CA, AMPK, SGLT2, DPP4, GLP1, alpha glucosidase, and insulin receptor. STITCH analysis revealed strong interactions between mevalonate and HMGCR (score 0.997), alpha aminobut and PPARG (0.847), and quercitrin and AKT1 (0.519). Molecular docking simulations confirmed quercitrin as the most potent compound with the best binding affinity to AKT1 (-8,148 kcal/mol), PPARG (-7,707 kcal/mol), PIK3CA (-9,638 kcal/mol), AMPKγ (-7,539 kcal/mol), SGLT2 (-8,422 kcal/mol), DPP4 (-8,806 kcal/mol), GLP1 (-7,643 kcal/mol), alpha glucosidase (-7,578 kcal/mol) and insulin receptor (-9,273 kcal/mol) through conventional hydrogen bonds and stable hydrophobic interactions. The results confirm that matoa leaf extract has potential as an antidiabetic agent through a multitarget mechanism, with quercitrin as a prime candidate for further development.
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