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

Sankar Ganesh Ramakrishnan; Muthusaravanan Sivaramakrishnan; Dhrisya Chenthamara; Ram Kothandan; Swaminathan Krishnaswami; Sadhasivam Subramaniam

doi:10.6026/97320630016323

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.

Authors

Sankar Ganesh Ramakrishnan¹, Muthusaravanan Sivaramakrishnan², Dhrisya Chenthamara¹, Ram Kothandan², Swaminathan Krishnaswami¹, Sadhasivam Subramaniam^{1

3}

Affiliations

¹ Department of Microbial Biotechnology, Bharathiar University, Coimbatore, India.
² Department of Biotechnology, Kumaraguru college of Technology, Coimbatore, India.
³ Department of Extension and Career Guidance, Bharathiar University, Coimbatore, India.

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.

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