# Molecular docking analysis of imeglimin and its derivatives with estrogen receptor-alpha

## TL;DR

This study explores how imeglimin and its derivatives interact with a protein linked to breast cancer, identifying promising new drug candidates.

## Contribution

The study identifies five imeglimin derivatives with strong binding affinity and favorable pharmacokinetics for ER-alpha, suggesting potential as anticancer agents.

## Key findings

- Five imeglimin derivatives showed good binding affinity to estrogen receptor-alpha.
- The selected derivatives exhibited favorable pharmacokinetic profiles.
- These compounds demonstrate potential as cost-effective anticancer agents for ER-positive breast cancer.

## 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.