Analysis of Molecular Docking Chemical Content of Lime (Citrus aurantiifolia (Christm.) Swingle) Against Diabetes Mellitus Therapy Targets and Prediction of Pharmacokinetic Profiles and Toxicity

Diabetes mellitus drugs currently available are sulfonylureas, biguanides, thiazolidines, and alpha glucoside inhibitors which widely used to control hyperglycemia. These cannot prevent complications of diabetes, these should not be continuously because it causes undesirable pathological conditions. The essential oil in lime peel is rich phenolics, especially flavonoids, can oxidative stress. This research was carried out computationally determine the affinity compound mechanism lime, pharmacokinetic profile, toxicity chemical content thought have antihyperglycemic activity using chemoinformatics studies. hardware an Asus laptop X441UB-GA502T Intel Core I5 – 8250 DDR 4 4GB HD 1TB VGA mix 110 2GB screen 14 "DVD-RW WIN 10 ORI. software PLANTS (PROTEIN-LIGAND ANT SYSTEM), YASARA, Marvin sketch, Swisstargetprediction, SwissADME, Toxtree. All compounds were most active against target protein PPARγ with average value -78.0092, while positive thiazolidinediones -90.3393. highest inhibitory contained hesperidin DPP-4 -113.614, higher than sitagliptin -107.591. Hesperidin absorption digestive tract low, topology polar surface area (TPSA) 234.29Å2, low polarity high lipophilicity. There unexpected heterocyclic compounds, so becomes a warning potential for genotoxic carcinogenicity, namely oxygen element "o".