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Updated: Jun 9, 2026

Single-molecule Manipulation of G-quadruplexes by Magnetic Tweezers
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Published on: September 19, 2017

Structure-Informed Design of Distinct Parallel G-Quadruplex Stabilizers for KRAS-Driven Cancer Therapy.

Lulu Zhang1, Kang Han2, Xiaozhe Wang1

  • 1State Key Laboratory of Natural Medicines, Basic Medical Research Innovation Center for Anti-Cancer Drugs (Ministry of Education of China), and Jiangsu Key Laboratory of Bioactive Natural Product Research, China Pharmaceutical University, Nanjing, People's Republic of China.

Angewandte Chemie (International Ed. in English)
|June 7, 2026
PubMed
Summary
This summary is machine-generated.

Researchers identified dehydroevodiamine (DEE) as a novel G-quadruplex (G4) stabilizer. A designed analogue, 7i, showed significantly improved anticancer activity by targeting KRAS oncogenes, offering a new strategy for cancer therapy.

Keywords:
G‐quadruplexKRASNMR structurecancer therapydehydroevodiamine

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Single-Molecule Fluorescence Visualization of DNA Polymerase Dynamics at G-Quadruplexes
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Area of Science:

  • Medicinal Chemistry
  • Molecular Biology
  • Oncology

Background:

  • Targeting G-quadruplexes (G4s) in oncogene promoters is a promising cancer therapy approach.
  • Development of potent and diverse G4-targeting ligands remains a challenge.

Purpose of the Study:

  • To identify novel G4 stabilizers from natural products.
  • To rationally design and synthesize improved G4-targeting ligands based on structural insights.
  • To evaluate the therapeutic potential of novel ligands against KRAS-driven cancers.

Main Methods:

  • Screening of a natural product library to identify G4 stabilizers.
  • Structural analysis of ligand-G4 interactions.
  • Rational design and synthesis of G4 ligand analogues.
  • In vitro antiproliferative assays and biophysical binding studies.
  • NMR structural determination of G4-ligand complexes.
  • Functional assays assessing oncogene transcription suppression, G4 induction, and DNA damage.
  • Inhibition studies using patient-derived colorectal tumor organoids.

Main Results:

  • Dehydroevodiamine (DEE) was identified as a novel stabilizer of the KRAS proximal promoter G4 (KRAS-G4).
  • A synthesized analogue, 7i, exhibited 9-fold higher binding affinity and 20-fold greater antiproliferative activity than DEE.
  • The KRAS-G4-7i complex revealed a unique dual-binding mode with extensive π-π stacking and hydrogen bonding.
  • Compound 7i suppressed oncogene transcription, induced genome-wide G4 formation, triggered DNA damage in colorectal cancer cells, and inhibited tumor organoid growth.

Conclusions:

  • A structural framework for designing parallel G4-targeting ligands was established.
  • Compound 7i represents a promising lead candidate for targeting KRAS-driven cancers.
  • This study highlights an alternative G4-based therapeutic strategy for human malignancies.