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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.
Oluwabusayo Esther Akinma, Olufemi Adebisi Akinola, Ifeoluwa Deborah Ojo, Akinyode Isaac Olopoda, Ifedayo David Akerele, Bright Bayonle Akinyemi, Folashade O Ayodeji, Olusola Olalekan Elekofehinti
DOI: 10.1007/s40203-026-00773-7
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