Computational Approach to Study Catalytic Properties of Dioxygenase Enzyme in Bioremediation

Bioremediation is a degradation or transformation of contaminants into nonhazardous or less-hazardous substances using microorganism. A large number of enzymes from bacteria, fungi, and plants have been reported to be involved in the biodegradation of toxic organic pollutants. In silico approach uses variety of computational tools to predict best binding sites for pollutant degradation which permits to explore the potential of microorganisms in cleaning up the particular compound from the environment. Its broad substrate specificity offers a wide opportunity for screening pollutants in order to predict potential targets for degradation. We identified potent bacteria that can be used to accomplish bioremediation i.e. Pseudomonas putida. This study aimed to evaluate the catechol 1, 2- dioxygenase enzyme which comes in class of oxidoreductase and in sub- class of oxygenase binding affinity with the pollutant and to explore its target potential sites using docking software. The chosen pollutants were Catechol, Endosulfan, Carbaryl, Xylene, Toluene and Acrylamide. In this Pseudomonas putida wild type enzyme showed good results by endosulfan pollutant with -6.68 KJ/mol binding energy while mutated enzyme have shown better result with endosulfan with binding energy of -6.73 KJ/mol. N. Ahakey | P. Chandurkar | Tanuja Murab"Computational Approach to Study Catalytic Properties of Dioxygenase Enzyme in Bioremediation" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-2 | Issue-3 , April 2018, URL: http://www.ijtsrd.com/papers/ijtsrd11694.pdf http://www.ijtsrd.com/biological-science/bioinformatics/11694/computational-approach-to-study-catalytic-properties-of-dioxygenase-enzyme-in-bioremediation/n-ahakey