Phytoconstituents of as a potential adjunct in the treatment of anxiety disorders: In vivo and in silico approaches.

Traditional plants have played a vital role in civilization and medicine throughout history. , a plant used in South Asian traditional medicine, has various medicinal applications but limited research on its impact on the central nervous system (CNS). This study analyzed the methanolic leaf extract of (MECE) for secondary metabolites and conducted experiments to evaluate the sedative, and anxiolytic effect of MECE on a mice model. To assess anxiolytic effects, elevated plus maze (EPM) and light-dark box (LDB) tests were performed. Sedative effects were explored in open field and hole-cross tests. Additionally, investigations included molecular docking and ADME/T property assessments for 40 secondary metabolites. The phytochemical analysis of MECE revealed the presence of alkaloids, tannins, flavonoids, and glycosides. MECE exhibited significant anxiolytic effects in both the EPM and LDB tests, with statistical significance (P < 0.001). The open field and hole-cross tests demonstrated significant sedative potential (P < 0.05) compared to the standard Diazepam. Furthermore, molecular docking was performed to evaluate the potential of the compounds with a potassium channel protein. Among them, Chloramultilide C, 4-dimethoxyflavanone, and Neolitacumone B were identified as potential against the target protein with a binding score of -8.8 kcal/mol, -6.5 kcal/mol, and -6.4 kcal/mol, respectively. Additionally, pharmacokinetic attributes and ADMET analysis emphasized promising properties for drug development. These findings suggest that MECE possesses sedative and anxiolytic properties that could be valuable for addressing insomnia and anxiety associated with various psychiatric disorders.