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Published on: June 20, 2025

Impact of Aromatase protein variants and drug interactions in breast cancer: a molecular docking approach

Aravind Setti1, V Venugopal Rao, A Priyamvada Devi

  • 1Department of Genetics & Biotechnology, Osmania University, Hyderabad, Andhra Pradesh, India. aravind@osmania.ac.in

Journal of Receptor and Signal Transduction Research
|June 21, 2012
PubMed

Insights

This study explored Aromatase inhibitors for breast cancer chemoprevention. Molecular docking suggests Aromatase variants have similar binding affinities, supporting their use in therapy.

Area of Science:

  • Biochemistry
  • Oncology
  • Computational Chemistry

Background:

  • Breast cancer is a prevalent global cancer in women.
  • Aromatase is a key target for breast cancer chemoprevention.
  • Natural variants of Aromatase are common and influence drug efficacy.

Purpose of the Study:

  • To investigate the binding affinities of Aromatase inhibitors against natural Aromatase variants.
  • To compare the efficacy of reversible (Anastrozole) and irreversible (Exemestane) inhibitors.
  • To assess the suitability of Aromatase variants for chemoprevention therapy.

Main Methods:

  • Collection and energy optimization of mutated Aromatase protein variants.
  • Molecular docking studies of Anastrozole and Exemestane against Aromatase variants.
  • Comparative analysis of drug-protein binding affinities.

Main Results:

  • Anastrozole demonstrated higher binding affinity compared to Diethylstilbestrol.
  • Binding affinities between drugs and Aromatase variants were imprecise but closely related.
  • No significant difference in binding affinity was observed across Aromatase variants.

Conclusions:

  • Aromatase protein variants can be considered equivalent for breast cancer chemoprevention.
  • The findings support the use of Aromatase inhibitors in breast cancer therapy.
  • Further research may refine understanding of drug-variant interactions.

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