Hit evaluation results in 5-benzyl-1,3,4-thiadiazole-2-carboxamide based SIRT2-selective inhibitor with improved affinity and selectivity

Mahmut Gozelle,Selen Gozde Kaya,Ahmet Bugra Aksel,Erva Ozkan,Filiz Bakar-Ates,Yesim Ozkan,Gokcen Eren

Bioorganic Chemistry（2022）

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摘要

•SIRT2 has been identified as potential drug target in relation to inflammation, neurodegenerative diseases and cancer.•There is a clear need for new selective SIRT2 inhibitors.•ST29 (SIRT2 IC50 = 38.69 μM) and ST30 (SIRT2 IC50 = 43.29 μM) displayed excellent selectivity against SIRT2 over SIRT1 and SIRT3.

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关键词

Sirtuin,SIRT2,Inhibitor,Molecular dynamics,MCF-7

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