Understanding the Xenoestrogenic Activity of BPA Involves Molecular Docking Study with a few Chosen Nuclear Receptors and Toxicodynamics Analysis: An In Silico Research
Sarkar Diptendu, Mandal Gopal Dev, Kolar Amzad Basha, Roy Tapan Kumar, G. Jahirhussain, D. Sarasa · International Journal of Biological and Environmental Investigations · 2024
Bisphenol A (BPA) is predominantly synthesized on a massive scale for use in polycarbonate plastic manufacturing.Because it resembles a hormone, BPA functions as a xenoestrogen, imitating the effects of estrogen in the human reproductive system.Employing the Docking Wizard program on The Molegro virtual Docker system, we molecularly docked BPA onto the 1A52, 1GS4, 2GPU, 5TOA, and 7XTB in order to compare binding energies and gain insight into the toxicodynamics and estrogenic activity of BPA in biological systems.Our investigation clearly shows that BPA's biggest possibility for coupling is with the estrogen receptor alpha 1A52 (-8.4 Kcal/mol), and then with the ERR-γ receptor 2GPU (-8.4 Kcal/mol).BPA is categorized as an Endocrine Disrupting Chemical (EDC) that can imitate internal hormones and hence, increase the effects they have, or it may hinder with and keep natural hormones from attaching to their targets.