An in-silico study on the structural and functional features of fungal manganese peroxidase for evaluation their biodegradable capacity

Manganese peroxidase are, an enzyme glycoprotein eukaryotic and prokaryotic origin, candidate with the ability to decompose organic pollutants in the development of new anticancer Nutritional supplements based on probiotics and prebiotics. Therefore, the detection of structural and functional characteristics of enzyme in different host strains is a major step in the selection of suitable enzymes oroptimize for industrial purposes such as solubility, thermal resistance and pH. For this purpose, a profile of fungi capable of biodegrading aromatic hydrocarbons was developed based on the presenceof manganese peroxidase. Protein sequence of selected enzymes was extracted From the NCBI database and their physicochemical properties were determined. The association of enzymes and selective quasi-enzymes was made by version 6 of the MAGE program after detection with PAM250 and BLOSUM62 matrix. Structural modeling of selected enzymes was carried out with modeler program and their temperature resistance was evaluated by molecular dynamic simulation with gromacs after determining the quality and active site status. Finally, their functionality was determined in the analysis of aromatic hydrocarbons by molecular docking. The results of this study showed that manganese peroxidase have a high decomposition potential in different fungal strains including Pleurotus ostreatus, Phanerochaete sordida and Phlebiopsis crassa, especially accordingly to fluorine, anthracene and phenanthrene. On the other hand, the solubility and thermostability of detected enzymes showed different stability, which the best of them considered for biotechnology process as candidate for prebiotics and probiotic development

Keywords:

Cancer Prevention , Lifestyle and Cancer , Nutrition and Cancer , Multidisciplinary Cancer Research , Drugs and Cancer