In vivo and In Silico Assessment of Acampe papillosa (Lindl.) Lindl. Seed Extract: A Multi-Pharmacological Approach.

Acampe papillosa (Lindl.) Lindl., an epiphytic orchid, has been traditionally utilized in ethnomedicine for the management of pyrexia, otalgia, rheumatism, and neuralgia. This work intends to figure out the in vivo neuropharmacological, antinociceptive, and antipyretic potentials of the methanolic extract of A. papillosa seeds (ME-APS) along with computational approaches. Phytochemical screening of ME-APS was analyzed through GC-MS. Elevated plus maze (EPM) and hole board (HBT), forced swim (FST), and tail suspension (TST) tests were used to evaluate anxiolytic and antidepressant effects, whereas acetic acid-induced writhing and formalin-induced paw licking were employed to assess antinociceptive action. Antipyretic activity was examined on the brewer's yeast-induced pyrexia model. Molecular docking and ADME/T analyses were conducted to support the experimental findings. GC-MS analysis revealed 13 prominent bioactive compounds within ME-APS. The extract demonstrated significant, dose-dependent antipyretic and central analgesic activities (p < 0.001) at dosages of 200 and 400 mg/kg. Furthermore, at 200 mg/kg, the extract manifested robust peripheral analgesic and antidepressant-like effects (p < 0.01), alongside a moderate anxiolytic response in the HBT model. Molecular docking studies supported the experimental findings by identifying favorable interactions between selected phytoconstituents and protein targets associated with pain, pyrexia, and neuropharmacological pathways. Based on the computational analysis, the identified compounds exhibited binding affinities ranging from - 4.4 to - 10.1 kcal/mol across the targeted proteins. Furthermore, in silico ADME/T analysis predicted favorable pharmacokinetic characteristics and low toxicity risks for the identified phytoconstituents. Overall, the findings suggest that A. papillosa seeds contain bioactive constituents that may contribute to neuropharmacological, antinociceptive, and antipyretic activities. Further studies, including detailed biochemical and receptor-based investigations, as well as long-term experimental models, are required to confirm these effects.