Integrative GC-MS, FT-IR, and Molecular Docking Analysis of Drimycarpus racemosus (Roxb.) Hook.f ex Marchand: In Vivo...

Traditional medicine has long utilized Drimycarpus racemosus (Roxb.) Hook.f ex Marchand, which is a member of the Anacardiaceae family, to treat inflammation, pain, and metabolic disorders; however, its therapeutic properties have not been experimentally investigated. This study aimed to investigate the analgesic and hypoglycemic activities of D. racemosus leaf extract and explore its bioactive constituents through a computational approach. The most prevalent chemicals found in the plant methanolic extract, according to GC-MS analysis, were Furfural, 4-methoxybenzoic acid, methyl ester and β-sitosterol acetate. The FT-IR (Fourier transform infrared spectroscopy) analysis of the extracts revealed the presence of hydroxyl, carbonyl, aromatic, aliphatic C-H, and C-O functional groups. Acetic acid-induced writhing test, formalin-induced hind paw licking test, and hot plate tests were used to assess the analgesic activity using Swiss albino mice, whereas streptozotocin (STZ)-induced animals were used to assess the hypoglycemic activity. In silico docking experiments were performed using Gaussian, Gabedit, Discovery Studio, Swiss PDB Viewer, PyRx, and PyMOL tools against cyclooxygenase-2 (COX-2) and sulfonylurea receptor-1 (SUR-1), with ADME data supporting the results. The extract reduced writhing by 55.48% and 66.45% at 250 and 500 mg/kg, respectively. At 500 mg/kg, the extract significantly reduced paw licking time to 52.4 ± 5.95 s during the early phase and 3.4 ± 0.51 s during the late phase. At 500 mg/kg, a decrease in plasma glucose indicated hypoglycemic action. In silico, 4-methoxybenzoic acid, methyl ester showed the strongest affinity for COX-2 (-8.3 kcal/mol), outperforming diclofenac (-6.4 kcal/mol), while 4-methoxybenzoic acid, methyl ester demonstrated higher binding with SUR-1 (-9.0 kcal/mol) compared to Glibenclamide (-8.5 kcal/mol). D. racemosus extract has substantial analgesic and hypoglycemic properties, and its phytoconstituents show promise as new medicinal research possibilities.