Profiling of secondary metabolite and CNS modulatory effects of methanolic extract of Bulbophyllum crassipes and its solvent fractions: Evidence from GC–MS, FTIR, behavioral tests, and molecular docking

Background Bulbophyllum crassipes (known as duan er shi dou lan, 短耳石豆兰 in China), is an orchid species situated within the expansive and highly varied genus Bulbophyllum of the Orchidaceae family . It is native to tropical and subtropical regions of Asia, including parts of India, Bangladesh, Myanmar, Thailand, and southern China. This medicinally valued orchid was investigated for its neuropharmacological potential. The crude methanolic extract (ME) of its bulbs and derived fractions-n-hexane (NHF), chloroform (CLF), and aqueous (AQF)—were evaluated in Swiss albino mice. Methods Anxiolytic effects were assessed using the elevated plus maze, hole-board, light–dark box, and marble-burying tests; antidepressant activity via the forced swim and tail suspension tests; and sedative properties via the open field and hole-crossing tests. Results GC-MS analysis of the extract (ME) identified 86 bioactive compounds. At 400 mg/kg, ME demonstrated significant anxiolytic activity across all anxiety models. Both ME and CLF (400 mg/kg) markedly reduced immobility time in antidepressant tests, indicating mood-enhancing effects. The same dose also significantly decreased locomotor activity (p < 0.05 to p < 0.001), confirming sedative properties. In silico studies—including ADME, PASS prediction, and molecular docking—supported the experimental results. Key constituents showed strong binding affinities to neuropharmacological targets: MAO-A (PDB: 2Z5X), serotonin transporter (PDB: 5I6X), and GABA A receptor (PDB: 6 × 3X), aligning with observed anxiolytic, antidepressant, and sedative effects. Notably, three compounds—3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid, Curdione, and Guanosine—showed particularly high and consistent docking scores across all three targets, indicating their potential as multi-target neuroactive medicines. Conclusion These findings validate the traditional use of B. crassipes and suggest its potential as a natural source for managing anxiety, depression, and sleep disorders.