Modelling, docking and simulation analysis of Bisphenol A interaction with laccase from Trichoderma

Abstract

Fungal laccases are widely known for the degradation of recalcitrant xenobiotic compounds. Hence, it is of interest to study the interaction between laccase from Trichoderma laccase and Endocrine-Disrupting Chemical (EDC) named Bisphenol A. The molecular docking analysis of laccase from Trichoderma laccase with 23 xenobiotics and bisphenol A was completed. We show Bisphenol having optimal binding features (Glide score of-5.44 and the Glide energy-37.65 kcal/mol) with laccase from Trichoderma laccase.