Skripsi
STUDI IN SILICO PENELURUSAN AGEN TERAPI DIABETES MELITUS DARI SENYAWA BIOAKTIF EKSTRAK DAUN SALAM (SYZYGIUM POLYANTHUM)
Diabetes melitus is a chronic disease with a steadily increasing global prevalence, posing a significant concern in public health. This metabolic disorder is characterized by elevated blood glucose levels, which may lead to long-term complications if not managed properly. Conventional pharmacological therapies are commonly used to regulate glucose levels, but long-term use carries a risk of serious adverse effects, including liver and kidney dysfunction, allergic reactions, and essential nutrient deficiencies. This study aimed to evaluate the potential of bioactive compounds from salam leaf (Syzygium polyanthum) extract as antidiabetic agents using an in silico approach through network pharmacology and molecular docking analyses. Compound identification was performed using LC-HRMS. Target proteins were predicted using SwissTargetPrediction and GeneCards. Protein–protein interaction (PPI) and compound–protein interaction (CPI) networks were analyzed using Cytoscape, STRING, and STITCH. Molecular docking was conducted using AutoDock Vina. The network pharmacology results revealed quercitrin, propionate, and octanoate as potential antidiabetic compounds, interacting with 166 protein targets. Among these targets, AKT1, PIK3CA, and ACACB were identified as the primary proteins involved in anti-inflammatory pathways. Molecular docking analysis demonstrated strong interactions between propionate and ACACB, with a binding affinity of −8.389 kcal/mol. Propionate also showed similar amino acid residues and biological activity to the reference drug, metformin, in its interactions with AKT1 and PIK3CA. Keywords: antidiabetic, in silico, molecular docking, network pharmacology, salam leaf