Modelagem computacional da teoria de Stern-Volmer aplicada ao estudo da interação de ligantes com proteínas

Abstract

The present work describes a computational mathematical model for the application of the Stern-Volmer theory in the treatment of data obtained from spectrofluorimeters in the method of quenching of fluorescence. Since in current research such treatments are performed by a team of researchers, manually and repeatedly, in addition to the high time consumption, there may be mistakes or incorrect procedures in the process that could compromise the results achieved. Thus, the development of a dedicated tool to accomplish this task becomes relevant, being this model the target of this research. The objective of the work is to develop a program that allows to streamline and systematize the mathematical and statistical treatment of the instrumental data that are applied to the equations and parameters defined by the Stern-Volmer Theory, aiming to obtain the graphs and constants that characterize the interactions between a variety of ligands and proteins, by the fluorescence suppression method. The proposed software was developed in the Netbeans 8.2 Integrated Development Environment (IDE), using the Java 8 language, with JavaFX graphical interface, allowing the direct input of data from the fluorimeters, and providing the simplification, dynamization and refinement in obtaining results.Such software has been implemented and is able to present the graphs, equations and constants related to the phenomenon of fluorescence quenching according to the Stern-Volmer model, automating and speeding up the results in relation to the data analysis of fluorescence quenching due to the interaction of ligands with proteins.