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Chem Biol Drug Des ; 103(1): e14360, 2024 01.
Article in English | MEDLINE | ID: mdl-37814809

ABSTRACT

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.


Subject(s)
Tankyrases , Molecular Docking Simulation , Tankyrases/chemistry
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