Investigating the Secondary Metabolite Profile and Neuropharmacological Activities of Ipomoea purpurea: A Multi-Method Approach Using GC-MS, In Vivo, and In Silico Techniques.

Ipomoea purpurea, a traditional medicinal plant native to Mexico and Central America, was evaluated for its neuropharmacological effects. The methanol extract of I. purpurea leaves (IPML) was analyzed through in vivo and in silico approaches. The extract's secondary metabolites were identified through qualitative and gas chromatography-mass spectrometry (GC-MS) analysis. Anxiolytic effects were assessed using the elevated plus maze (EPM) and hole-board test (HBT), whereas sedative activity was evaluated through the open-field test (OFT) and hole cross test (HCT). Antidepressant properties were analyzed via the tail suspension test (TST) and forced swimming test (FST), and muscle relaxant activity was tested using the rota-rod test. IPML at 200 and 400 mg/kg showed significant anxiolytic (p < 0.001), sedative (p < 0.0001), antidepressant (p < 0.001), and muscle relaxant (p < 0.0001) effects. GC-MS analysis identified 19 bioactive compounds, and in silico molecular docking and absorption, distribution, metabolism, excretion, and toxicity (ADME/T) analysis revealed strong binding affinities, favorable pharmacokinetics, and a safe toxicological profile. Findings suggest that IPML possesses significant neuropharmacological properties, supporting its role as a natural therapeutic agent. However, further research is needed to address key concerns, such as small sample sizes, limited replication, and the necessity for extensive dose-response studies across diverse animal models.