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Updated: Jun 12, 2025
Detecting the Ligand-binding Domain Dimerization Activity of Estrogen Receptor Alpha Using the Mammalian Two-Hybrid Assay
Published on: December 19, 2018
Molecular docking analysis of imeglimin and its derivatives with estrogen receptor-alpha
Anitha Elango1, Iyanar Kannan2, Ramya Ravichandar3
1Department of Pharmacology, Panimalar Medical College Hospital and Research Institute, Chennai.
Abstract:
Estrogen receptor-α (ER- α) is a principal endocrine regulatory protein in breast cancer. The progression of ER-α positive breast cancer is slowed by selective estrogen receptor modulators such as Tamoxifen. But, long term therapy with Tamoxifen leads to resistance. Therefore, it is of interest to document the Molecular docking and pharmacokinetic analysis of imeglimin derivatives with ER-alpha. Among the 166 derivatives of Imeglimin, only five derivatives were shortlisted after toxicity testing. The selected derivatives showed good binding affinity with favorable pharmacokinetic profiles. The selected compounds of Imeglimin were found to possess excellent anticancer potential and could be considered as novel, cost-effective anticancer agents effective against ER positive breast cancer for further investigation.
Insights
Researchers explored imeglimin derivatives as potential treatments for estrogen receptor-alpha positive breast cancer. Five derivatives showed promising binding and pharmacokinetic profiles, suggesting novel anticancer potential.
Area of Science:
- Oncology
- Pharmacology
- Molecular Biology
Background:
- Estrogen receptor-alpha (ER-α) is a key target in breast cancer therapy.
- Tamoxifen, an ER modulator, is effective but can lead to treatment resistance.
- Novel therapeutic strategies are needed for ER-α positive breast cancer.
Purpose of the Study:
- To investigate the molecular docking and pharmacokinetic properties of imeglimin derivatives against ER-α.
- To identify potential novel anticancer agents for ER-α positive breast cancer.
Main Methods:
- Computational molecular docking simulations were performed.
- Pharmacokinetic analysis was conducted for selected imeglimin derivatives.
- Toxicity testing was used for initial screening of derivatives.
Main Results:
- Out of 166 imeglimin derivatives, five were shortlisted after toxicity assessment.
- The selected derivatives exhibited significant binding affinity with ER-α.
- Favorable pharmacokinetic profiles were observed for the shortlisted compounds.
Conclusions:
- Imeglimin derivatives demonstrate potential as effective anticancer agents against ER-α positive breast cancer.
- These compounds represent novel, cost-effective therapeutic candidates for further investigation.
