Affinity and Selectivity of Cardiac Versus Skeletal Troponin I Towards Cardiac Troponin I Antibody: A Computational Study
A computational study of the interaction between cardiac troponin I and its specific antibody is carried out. The aim of this study is to characterize the binding process by determining the binding sites, number of interactions and energies. Furthermore, a selectivity study of the binding efficiency of the cardiac troponin I antibody with the cardiac troponin I and with its principal interferon, the skeletal troponin I, is also performed to demonstrate that selectivity assays for sensing studies can be carried out computationally. Computational and simulation tools such as FTSite, FTMap, FTDock and pyDock were used to determine the binding sites and molecular docking performance, allowing us to obtain relevant information for a subsequent sensing system development.