Caspase-6 is a cysteine protease implicated in neuronal survival and apoptosis. Deregulation of caspase-6 activity was linked to several neurodegenerative disorders including Alzheimer's and Huntington's Diseases. In an attempt to recognize novel agents to cure Alzheimer's and Huntington's Diseases, we have identified a lead molecule based on target search option in zinc database. The lead compound zinc_12378847 inhibit caspase-6 cystein proteases at 1µm (Ki 1 µm). The present docking analyses conclude that compound zinc_12378847 was recognized as novel lead for targeting caspase-6 enzyme. It inhibits target protein by hydrogen bonding, arene-arene and nonbonding interactions. The proposed analysis may be useful for the future design and optimization of novel caspase-6 target.
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