Comprehensive bioinformatic analysis identifies some indole derivatives for treating cTnT-associated hypertrophic cardiomyopathy
DOI:
https://doi.org/10.14295/bjs.v6i2.938Keywords:
hypertrophic cardiomyopathy, indole derivatives, docking serverAbstract
Alterations in cardiac troponin (cTnT) levels have been observed to be associated with the development of hypertrophic cardiomyopathy. It is worth noting that some drugs have been used to treat hypertrophic cardiomyopathy; however, these drugs act as myosin inhibitors. In the search for a therapeutic alternative for the treatment of this clinical pathology, this study aimed to determine the interaction of some indole derivatives (1-43) with cTnT using the 2n7l protein as a theoretical tool in the DockingServer program. Besides, the compounds indole, bepridil, levosimedam, and DPISTA were used as controls. The results showed differences in the number of amino acid residues involved in the docking of indole derivatives with the 2n7l protein surface compared to the controls. Other results indicate that the Ki values for indole derivatives 2, 4, 11, and 43 were lower compared with compounds 1, 3, 5-10, 12-42, beperidil, indole, and levosimedam. All these data suggest that compounds 2, 4, 11, and 43 may have good affinity for the 2n7l protein surface, which could lead to changes in the biological activity of cTnT. Therefore, these compounds could represent promising candidates for further experimental evaluation using a hypertrophic cardiomyopathy model.
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Copyright (c) 2027 Marcela Rosas-Nexticapa, Magdalena Álvarez-Ramírez, Enrique Bonilla-Zavaleta, Montserrat Alheli Melgarejo-Gutiérrez, Martha Paola Rascón-Díaz, Abril Ramírez-Higuera
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