Open access
Oct 2026
In silico characterization of Desmodium gangeticum compounds as dual modulators of MAO-B and 5-HT2A in Parkinson’s disease: an integrated approach combining molecular docking, ADMET profiling, MM-GBSA, QSAR modeling, and molecular dynamics simulation
Management of Parkinson’s disease (PD) is challenging: dopaminergic treatments alleviate motor symptoms but exacerbate psychosis, while antipsychotics alleviate hallucinations but exacerbate motor symptoms. To tackle this problem, we combined the in silico profiling of Desmodium gangeticum’s phytochemicals with dual mo...
Oluwabusayo Esther Akinma, O. Akinola, Ifeoluwa Deborah Ojo et al.
· In Silico Pharmacology · 0 citations