PREDIKSI AKTIVITAS MOLEKULAR SENYAWA BIOAKTIF (Petiveria alliace) PADA PROTEIN Alfa-Glukosidase SEBAGAI UPAYA PENEMUAN OBAT BARU DIABETES MELITUS TIPE II SECARA IN SILICO

Background: Diabetes is often known as a silent killer because it is often not realized by sufferers, characterized by increased blood sugar levels. One of them is the alpha-glucosidase drug group which plays a role in breaking down carbohydrates into glucose, if the work of alpha-glucosidase is high then the glucose value in the blood is also high, so an inhibitor is needed. The use of P. alliaceae plants as a treatment for diabetes mellitus sufferers is still not widely used.
Objective: To determine the affinity and interaction of secondary metabolite compounds from P. alliaceae.
Method: Preparation of secondary metabolite compounds of P. alliaceae was carried out to obtain proteins and ligands. Continued with the prediction of affinity and interaction with the molecular docking method using Discovery Studio, Avogadro, PyRx software then the results were visualized into 2D and 3D visualizations using the protein.plus webserver.
Results and Conclusions: From 15 compounds, it shows that 4 compounds are predicted to have 1 level equal to the relative ligand to the alpha-glucosidase enzyme, namely Dipropyl disulfide, Benzyl benzoate, Benzenemethanol and S-Benzyl-L-cysteine sulfoxide. The results of the Trithiolaniacin study are 1 compound that has affinity as an antidiabetic alpha-glucosidase inhibitor obtained from 15 test compounds and is known to have the best potential as an alpha-glucosidase inhibitor in-silico.