A prospective compound screening contest identified broader inhibitors for Sirtuin 1.

摘要: Potential inhibitors of a target biomolecule, NAD-dependent deacetylase Sirtuin 1, were identified by contest-based approach, in which participants asked to propose prioritized list 400 compounds from designated compound library containing 2.5 million using silico methods and scoring. Our aim was identify enzyme benchmark computer-aided drug discovery under the same experimental conditions. Collecting lists derived various is advantageous for aggregating with structurally diversified properties compared use single method. The inhibitory action on 1 approximately half proposed experimentally accessed. Ultimately, seven diverse identified.