21 research outputs found

    A prospective compound screening contest identified broader inhibitors for Sirtuin 1

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

    In silico Spleen Tyrosine Kinase Inhibitor Screening by ChooseLD

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    <p>IPSJ Transactions on Bioinformatics Vol. 8 (2015) pp. 14-20</p> <p> </p

    Senecio flammeus Turcz.

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    原著和名: タカネコウリンクヮ科名: キク科 = Compositae採集地: 熊本県 阿蘇郡 波野村 (肥後 阿蘇郡 波野村)採集日: 1974/8/8採集者: 萩庭丈壽整理番号: JH007516国立科学博物館整理番号: TNS-VS-95751
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