Drug repurposing and African natural product screening, targeting the Parkinson‘s-associated LRRK2 G2019S mutant kinase using molecular docking and molecular dynamics approaches
The G2019S mutation in leucine-rich repeat kinase 2 (LRRK2) is the most prevalent genetic contributor to Parkinson’s disease and is associated with increased kinase activity. Targeting this mutation remains a key therapeutic strategy; however, structure-guided identification of repurposable inhibitors remains limited....