Exploration of Multitarget Directed Ligands Through in Silico and in Vitro Integration for the Treatment of Neurodegenerative Disorders
Keywords:
Neurodegenerative disorders, Multitarget directed ligands, In silico, In vitro, Drug discovery, Alzheimer’s disease, Parkinson’s diseaseAbstract
Neurodegenerative disorders (NDs) such as Alzheimer’s and Parkinson’s diseases are multifactorial conditions requiring innovative therapeutic strategies. Multitarget directed ligands (MTDLs) have emerged as promising candidates by simultaneously modulating multiple pathological targets. This study integrates in silico and in vitro approaches to explore MTDLs for NDs. Using computational tools, we designed and screened MTDLs targeting key pathways, including amyloid-beta aggregation, tau hyperphosphorylation, and oxidative stress. In vitro validation confirmed the efficacy of selected compounds in inhibiting pathological markers. Our findings highlight the potential of MTDLs as a therapeutic strategy for NDs, emphasizing the importance of integrating computational and experimental methods for drug discovery.
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