GC-MS profiling and in silico evaluation of the analgesic, anti-inflammatory, antioxidant, antidiarrheal, and hypoglycemic potential of Ixora cuneifolia leaf extract

Abstract

Medicinal plants are an important source of bioactive compounds and play a significant role in the discovery of new therapeutic agents. Ixora cuneifolia, a member of the Rubiaceae family, is traditionally used for the treatment of various diseases including fever, pain, inflammation, and gastrointestinal disorders. In this study, the leaf of the plant I. cuneifolia were tested to explore its antioxidant, anti-inflammatory, anti-diabetes, anti-diarrheal, and analgesic activity using in silico approaches. Gas chromatography–mass spectrometry (GC–MS) analysis was performed to identify the chemical compounds present in the plant extract. Several bioactive phytochemicals were detected in the extract, indicating the presence of compounds that may contribute to its biological activities. To further understand the mechanism of action of these compounds, molecular docking analysis was conducted against selected target proteins. The docking results revealed that several identified compounds exhibited favorable binding affinities with the selected receptors through hydrogen bonding and hydrophobic interactions, suggesting strong ligand–protein interactions within the active sites of the target proteins. Among the detected compounds, certain molecules demonstrated particularly strong binding scores, indicating their potential as promising therapeutic candidates. The results suggested that several compounds possess acceptable pharmacokinetic characteristics and comply with standard drug-likeness criteria. Overall, the findings of this study support the traditional medicinal use of I. cuneifolia and suggest that its phytochemical constituents may serve as potential candidates for the development of novel anti-inflammatory, analgesic, antioxidant, hypoglycemic drugs. Further experimental and clinical studies are recommended to validate these findings and explore the therapeutic potential of the identified compounds.