<![CDATA[Type 2 diabetes mellitus is a global metabolic disorder that requires safer and more effective therapeutic alternatives. Inhibition of α-glucosidase activity is an effective method for treating type 2 diabetes mellitus because it can delay carbohydrate hydrolysis and inhibit postprandial hyperglycemia. Guava fruit (Psidium guajava L.) contains various bioactive compounds with great potential to be developed as an alternative therapy for diabetes mellitus. This study aims to analyze the potential of active compounds in guava fruit as α-glucosidase inhibitors through molecular docking and ADME evaluation. A total of 27 bioactive compounds reported in guava fruit were tested against human α-glucosidase obtained from the Protein Data Bank (PDB ID: 2QMJ). Toxicity analysis was performed using ProTox-II, ADME prediction using pkCSM, and molecular docking using AutoDock Tools. Toxicity analysis revealed that 85% of the tested compounds had an acceptable safety profile, with LD₅₀ values greater than 500 mg/kg. ADME evaluation showed that most tested compounds had good intestinal absorption above 80%. Method validation through acarbose redocking yielded an RMSD value of 1.506 Å. Ligand docking results indicated that citral has potential as an antidiabetic drug candidate, with Gibbs free energy of -4.59 kcal/mol and an inhibition constant (Ki) of 431.62 μM. The interaction of citral with key residues TRP A441, PHE A450, and ASP A542 indicates possible binding to the α-glucosidase active site. This study demonstrates the potential of guava active compounds as α-glucosidase inhibitor candidates for developing type 2 diabetes mellitus therapy and supports further preclinical studies for future clinical application.]]>
