Design, synthesis, and biological activity evaluation of new tankyrase-2 directed inhibitors
CHEMICAL BIOLOGY & DRUG DESIGN(2024)
摘要
A new series of flavonoids and quinolone derivatives were designed, synthesized and, evaluated for their biological activity. Among them, compound 14e showed better inhibition potency against TNKS2 in comparison with G007-LK, one of the most potent preclinical stage TNKS inhibitor. Molecular docking results showed that 14e occupied both the adenosine and nicotinamide pockets and formed a hydrogen bond with Met1054 of TNKS2. This study provides a lead for the design and discovery of potent and selective TNKS2 inhibitors.
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关键词
flavonoids and quinolone derivatives,molecular docking,molecular dynamics, TNKS2 inhibitors
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