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

Bioinformation. 2020 Apr 30;16(4):323-331. doi: 10.6026/97320630016323. eCollection 2020.


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.

Keywords: Bisphenol-A; Laccase; docking; molecular simulation.