Based on the structural information of reported inhibitors, we designed several individual and consensus pharmacophore models and then screened the ZINC database, which contains 105,480 compounds. To extend the repertoire of caspase 8 inhibitors, we employed several computational approaches to identify potential caspase 8 inhibitors. Thus, blocking the activity of caspase 8 is considered a potential therapy for neurodegenerative diseases. The critical role of this protease in cell death pathways has generated research interest because its activation has also been linked with neural cell death. Caspase 8 is a central player in the apoptotic cell death pathway and is also essential for cytokine processing.
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