3D models of bisphenol A and its metabolite 4-methyl-2,4-bis (4-hydroxyphenyl)-pent-1-ene (MBP) antagonist binding to human progesterone receptor

Abstract

Bisphenol-A (BPA) is a widely used primary monomer in polycarbonate plastics and epoxy resins that is known to have endocrine disrupting properties. BPA disrupts normal cell function by mimicking endogenous hormones. Recent studies have shown that a metabolite of BPA, 4-methyl-2,4-bis(4-hydroxyphenyl)-pent-1-ene (MBP) is more toxic than the original compound. Here, we investigated the binding modes of BPA and MBP with the human progesterone receptor using in silico methods. The compounds were docked into the target protein's binding site and free binding energies calculated. The results show that MBP has a relatively higher binding affinity than BPA and is similar to that of progesterone. This study suggests that MBP is a progesterone receptor antagonist and may have adverse effects on the normal physiological activities involving progesterone.