2. Academic Validation
  3. Design and synthesis of dual functional NBD-fluorophore-incorporated naphthalene diimide derivatives as G-quadruplex ligands

Design and synthesis of dual functional NBD-fluorophore-incorporated naphthalene diimide derivatives as G-quadruplex ligands

  • Bioorg Med Chem Lett. 2024 Oct 1:111:129903. doi: 10.1016/j.bmcl.2024.129903.
Xinhang Zhang 1,  Yashu Li 1,  Yuchen Chen 1,  Ziqi Liu 1,  Zijin Li 1,  Ziyin Wang 1,  Yu Wang 1,  Mingzhe Liu 2
Affiliations

Affiliations

  • 1 Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China; Department of Organic Chemistry, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China.
  • 2 Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China; Department of Organic Chemistry, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China. Electronic address: mz_liu03@163.com.
PMID: 39053704 DOI: 10.1016/j.bmcl.2024.129903
Abstract

Nitrobenzoxadiazole (NBD)-incorporated naphthalene diimide derivatives were designed and synthesized as candidates of antitumor agents with cytotoxicity against human pancreatic Cancer cell MIA PaCa-2. Among these, compounds 1NND and 3NND exhibited fluorescent "turn-off" property toward human telomeric G-quadruplex (G4), which allows the direct measurement of dissociation constant (Kd) of ligands against G4 by fluorescence titration method. Notably, the compound 1NND not only exhibited great cytotoxic activity against MIA PaCa-2 with a half maximal inhibitory concentration (IC50) of 77.9 nM, but also exhibited high affinity against G4 with Kd of 1.72 μM. Furthermore, the target binding properties were investigated by circular dichroism (CD) spectra and further studied by molecular docking methods.

Keywords

G-Quadruplex ligand; Naphthalene diimide; Nitrobenzoxadiazole; Pancreatic cancer.

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