Atefeh Hemmat

In-Silico Identification and Molecular Dynamics Characterization of FDA-Approved Drug Candidates Targeting MAO-B for Parkinson’s Disease Drug Repurposing

A knowledge-based virtual screening and drug-repurposing workflow was applied to identify FDA-approved small molecules predicted to bind favourably to MAO-B, highlighting apixaban and rimacalib as predicted MAO-B-binding candidates warranting biochemical and pharmacological validation to establish their repurposing pot...