Title

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

Authors

Sankar Ganesh Ramakrishnan¹, Muthusaravanan Sivaramakrishnan³, Dhrisya Chenthamara¹, Ram Kothandan³, Swaminathan Krishnaswami¹, Sadhasivam Subramaniam^1,2*

Affiliation

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

Email

Dr. Sadhasivam Subramaniam - E-Mail: sadhaon@gmail.com; sadhaofficial@buc.edu.in; Phone: +91-735859517; *Corresponding author

Article Type

Research Article

Date

Received March 28, 2020; Revised April 1, 2020; Accepted April 4, 2020; Published April 30, 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

Laccase; Bisphenol-A; molecular simulation; docking

Citation

Ramakrishnan et al. 323-331 (2020) PDF, HTML ABSTRACT, DOI, PubMed Central

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.