scholarly journals Affinity and Selectivity of Cardiac Versus Skeletal Troponin I Towards Cardiac Troponin I Antibody: A Computational Study

Proceedings ◽  
2018 ◽  
Vol 4 (1) ◽  
pp. 41
Author(s):  
Jad Sabek ◽  
Paula Martínez-Pérez ◽  
Jaime García-Rupérez

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.

Diagnostics ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 614
Author(s):  
Diana Hernández-Romero ◽  
María del Rocío Valverde-Vázquez ◽  
Juan Pedro Hernández del Rincón ◽  
José A. Noguera-Velasco ◽  
María D. Pérez-Cárceles ◽  
...  

In approximately 5% of unexpected deaths, establishing a conclusive diagnosis exclusively on the basis of anatomo-pathological findings in a classic autopsy is difficult. Postmortem biomarkers have been actively investigated as complementary indicators to help to reach valid conclusions about the circumstances of death. Several studies propose either the pericardial fluid or peripheral veins as a location for troponin determination, but the optimum sampling site is still a matter of debate. Our objective was to evaluate the association between the ratio of troponin values in the pericardial fluid and serum (determined postmortem) and the diagnosis of acute myocardial infarction (AMI) in the context of sudden cardiac death. We included 175 forensic cases. Two groups were established: AMI deaths (48; 27.4%) and the control group (127; 72.6%). The cardiac Troponin I (cTnI) values in the pericardial fluid and the troponin ratio were found to be associated with the cause of death. Univariate regression analyses showed that both age and the cTnI ratio were significantly associated with the diagnosis of AMI death. In a multivariate analysis, adjusting for confounding factors, the age and cTnI ratio were independent predictors of death from myocardial infarction. We performed a receiver operating characteristic (ROC) curve for the cTnI ratio for AMI death and selected a cut-off point. Our biomarker was found to be a valuable and highly effective tool for use in the forensic field as a complementary method to facilitate diagnosis in nonconclusive autopsies.


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