Study of Xylose as Product Inhibitor in Xylanase from Aspergillus niger, Basillus subtilis, and Tricodherma reesei: Insilico and Experimental Review Approach

Abstract

Bioinformatics is helpful for solving molecular biology problems computationally with the advantage of being safe, free from chemical waste, secure, cost-effective, and can shorten research time. The issues that arise can be in the form of degradation of the xylanase enzyme using some microorganisms like Aspergillus niger, Bacillus subtilis, and Trichoderma reesei on lignocellulose bonds. To predict the optimum conditions for this enzymatic reaction has used bioinformatics applications through substrate enzymes obtained from protein data banks. The purpose of this study was to determine the optimum conditions for obtaining xylanase enzymes from the microorganisms Aspergillus niger, Bacillus subtilis, and Trichoderma reesei by bioinformatics (in silico). This research was conducted in bioinformatics using a RCSB Protein Data Bank database and PubChem. The programs used to see the interaction between substrate enzymes are PyMol, PyRx, and LigPlot. The best conditions based on the results of bioinformatics simulations will form the basis for producing xylanases on a laboratory scale. In this study, the results of interaction data between Bacillus subtilis and D-xylose, Aspergillus niger with D-xylose, and Trichoderma reesei with D-xylose have a binding affinity value of -5.2 kcal/mol; -5.1 kcal/mol; and -4.3 kcal/mol respectively.