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Molecular docking analysis of aspirin analogues with β-catenin

Jayaraman Selvaraj1, Hussain Sardar2, Veeraraghavan Vishnupriya1

  • 1Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India.

Bioinformation
|October 8, 2021
PubMed

Insights

Researchers explored novel drug candidates targeting beta-catenin (β-catenin) to inhibit cancer cell proliferation. Molecular docking analysis of aspirin analogues with beta-catenin was performed to identify potential therapeutic agents.

Area of Science:

  • Biochemistry
  • Molecular Biology
  • Oncology

Background:

  • The canonical Wnt signaling pathway is integral to cancer cell proliferation.
  • Aberrant Wnt signaling, driven by beta-catenin (β-catenin) accumulation due to glycogen synthetase kinase-3 (GSK-3) inactivation, promotes tumorigenesis.

Purpose of the Study:

  • To investigate the potential of aspirin analogues as inhibitors of beta-catenin.
  • To identify novel therapeutic strategies targeting the Wnt pathway in cancer.

Main Methods:

  • Molecular docking analysis was employed to assess the binding affinity of aspirin analogues with beta-catenin.

Main Results:

  • The study generated molecular docking data for aspirin analogues interacting with beta-catenin.
  • These data provide a foundation for further drug design and development.

Conclusions:

  • Aspirin analogues show potential for binding to beta-catenin.
  • Further research is warranted to develop these analogues into targeted cancer therapeutics.
Keywords:
ADMEColon cancerWnt signalingmolecular docking

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