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Computational binding study of cardiac troponin I antibody towards cardiac versus skeletal troponin I.

Abstract：

:A computational study of the interaction of cardiac troponin I (cTnI) with its specific antibody and of that antibody with skeletal troponin I (sTnI), the principal interferon of cTnI, is carried out. Computational and simulation tools such as FTSite, FTMap, FTDock and pyDock are used to determine the binding sites of these molecules and to study their interactions and molecular docking performance, allowing us to obtain relevant information related with the antigen-antibody interaction for each of the targets. In the context of the development of immunosensing platforms, this type of computational analysis allows performing a preliminary in-silico affinity study of the available bioreceptors for a better selection when moving to the experimental stage, with the subsequent saving in cost and time.

journal_name

Comput Biol Chem

journal_title

Computational biology and chemistry

authors

Sabek J,Martínez-Pérez P,García-Rupérez J

doi

10.1016/j.compbiolchem.2019.04.002

subject

Has Abstract

pub_date

2019-06-01 00:00:00

pages

147-151

eissn

1476-9271

issn

1476-928X

pii

S1476-9271(18)30869-7

journal_volume

80

pub_type

杂志文章

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