Diabetes mellitus is a chronic metabolic disease characterized by persistent hyperglycemia, which may be caused by insulin resistance, decreased insulin production or both. The purpose of this study was to conduct in silico analysis for phytoconstituents from Trigonella foenum – graecum, as potential treatments for diabetic mellitus and to compare them to the conventional medication, metformin. PyRx and Biovia Discovery Studio software were used to perform in silico docking study against the target, GSK 3β retrieved from RCSB database (PDB ID: 1Q4L) and ligand files of phytoconstituents and standard drug (Metformin) were downloaded in sdf. format from PubChem compound database. Furthermore, pharmacokinetic qualities were studied using SWISS ADME and drug likeness properties were tested using DruLiTo. The LC50 of fathead minnow, daphnia magna, and oral rat was determined using the Toxicity Estimate Software Tool. The acute toxicity and organ toxicity were evaluated using ProTox-II software. Docking parameters revealed that the trigonelline and 4- hydroxy isoleucine, phytoconstituents of fenugreek had similar binding affinity to that of metformin. Further research on in vitro and in vivo models of diabetes mellitus could help understand the mechanism of action behind their therapeutic property.