Title

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

Authors

Anitha Elango¹, Iyanar Kannan², Ramya Ravichandar^*,3 & Punnagai Kumaravelu³

Affiliation

¹Department of Pharmacology, Panimalar Medical College Hospital and Research Institute, Chennai; ²Department of Microbiology, Tagore Medical College and Hospital, Chennai; ³Department of Pharmacology, Tagore Medical College and Hospital, Chennai; *Corresponding author

Email

Anitha Elango - E-mail: anitha.e@pmchri.ac.in; Phone: +91 9500096796

Iyanar Kannan - E-mail: dr.ikannan@tagoremch.com; Phone: +91 9840520950

Ramya Ravichandar - E-mail: dr.ramyaravichandar@tagoremch.com; Phone: +91 9790645648

Punnagai Gunasekaran - E-mail: dr.kpunnagai@tagoremch.com; Phone: +91 9840574080

Article Type

Research Article

Date

Received July 1, 2024; Revised July 31, 2024; Accepted July 31, 2024, Published July 31, 2024

Estrogen receptor‐α(ER- α is a principal endocrine regulatory protein in breast cancer. The progression of ER-αpositive breast cancer is slowed by selective estrogen receptor modulators such as Tamoxifen. But, long term therapy with Tamoxifen leads to resistance [1]. 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.

Keywords

Citation

Elango et al. Bioinformation 20(7): 711-718 (2024)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.