Exploring Polymer-Saccharide Interactions: A Computational Approach for Biosensing Technology

Abstract

: The study utilized semi-empirical methods and molecular mechanisms to calculate the steric energy and heat of formation for glucose in various conformations .The appropriate geometric interactions were confirmed, revealing that Poly-Pyrrole (PPY) interacts specifically with the ß-form of glucose. This finding aligns well with previous studies using modified pyrrole electrodes for the experimental determination of glucose. These results suggest that the molecular docking approach is a suitable method for theoretical studies in the field of biosensor development.