Surface Interaction of Ionic Liquids: Stabilization of Polyethylene Terephthalate-Degrading Enzymes in Solution
Zeenat Zara,
Deepti Mishra,
Saurabh Kumar Pandey,
Eva Csefalvay,
Fatemeh Fadaei,
Babak Minofar,
David Řeha
Affiliations
Zeenat Zara
Faculty of Science, University of South Bohemia in Ceske Budejovice, Branišovská 1760, 370 05 České Budějovice, Czech Republic
Deepti Mishra
Laboratory of Structural Biology and Bioinformatics, Institute of Microbiology of the Czech Academy of Sciences, Zamek 136, 373 33 Nove Hrady, Czech Republic
Saurabh Kumar Pandey
Laboratory of Structural Biology and Bioinformatics, Institute of Microbiology of the Czech Academy of Sciences, Zamek 136, 373 33 Nove Hrady, Czech Republic
Eva Csefalvay
Laboratory of Structural Biology and Bioinformatics, Institute of Microbiology of the Czech Academy of Sciences, Zamek 136, 373 33 Nove Hrady, Czech Republic
Fatemeh Fadaei
Faculty of Science, University of South Bohemia in Ceske Budejovice, Branišovská 1760, 370 05 České Budějovice, Czech Republic
Babak Minofar
Laboratory of Structural Biology and Bioinformatics, Institute of Microbiology of the Czech Academy of Sciences, Zamek 136, 373 33 Nove Hrady, Czech Republic
David Řeha
Laboratory of Structural Biology and Bioinformatics, Institute of Microbiology of the Czech Academy of Sciences, Zamek 136, 373 33 Nove Hrady, Czech Republic
The effect of aqueous solutions of selected ionic liquids solutions on Ideonella sakaiensis PETase with bis(2-hydroxyethyl) terephthalate (BHET) substrate were studied by means of molecular dynamics simulations in order to identify the possible effect of ionic liquids on the structure and dynamics of enzymatic Polyethylene terephthalate (PET) hydrolysis. The use of specific ionic liquids can potentially enhance the enzymatic hydrolyses of PET where these ionic liquids are known to partially dissolve PET. The aqueous solution of cholinium phosphate were found to have the smallest effect of the structure of PETase, and its interaction with (BHET) as substrate was comparable to that with the pure water. Thus, the cholinium phosphate was identified as possible candidate as ionic liquid co-solvent to study the enzymatic hydrolyses of PET.
