Targeting MAO-B selectivity: computational screening, docking, and molecular dynamics insights
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Monoamine oxidase B (MAO-B) is a key target in Parkinson's disease treatment due to its role in dopamine metabolism. This study applied a multi-stage in silico workflow - combining 3D-pharmacophore modelling, 2D-QSAR, ADMET filtering, docking, molecular dynam... ...
