Integrative GC – MS , FT ‐ IR , and Molecular

ABSTRACT

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.