2. Academic Validation
  3. Design, synthesis, and biological activity evaluation of new tankyrase-2 directed inhibitors

Design, synthesis, and biological activity evaluation of new tankyrase-2 directed inhibitors

  • Chem Biol Drug Des. 2023 Oct 10. doi: 10.1111/cbdd.14360.
Xiaoli Zhang 1,  Wan Pang 1,  Tang Li 1,  Taofeng Lin 1,  Juanchan Yuan 1,  Songhui Xu 2
Affiliations

Affiliations

  • 1 College of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, China.
  • 2 Department of Urology, The First Affiliated Hospital of Nanchang University, Nanchang, China.
PMID: 37814809 DOI: 10.1111/cbdd.14360
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.

Keywords

flavonoids and quinolone derivatives; molecular docking; molecular dynamics, TNKS2 inhibitors.

Figures
Products
  • Cat. No.
    Product Name
    Description
    Target
    Research Area
  • HY-156332
    TNKS2 Inhibitor