Comprehensive bioinformatic analysis identifies some alkyne derivatives for treating MYH7-associated hypertrophic cardiomyopathy
DOI:
https://doi.org/10.14295/bjs.v5i8.877Keywords:
hypertrophic cardiomyopathy, alkyne derivatives, interaction, MYH7Abstract
Some studies indicate that mutations in the MYH7 gene are associated with hypertrophic cardiomyopathy. It is important to mention that several drugs have been used to treat hypertrophic cardiomyopathy, such as omecamtiv mecarbil, blebbistatin, mavacamten, and aficamten; however, it is necessary to develop a series of drugs that may interact with the MYH7 gene for therapeutic purposes in the treatment of this clinical pathology. For this reason, the aim of this study was to determine the coupling of some alkyne derivatives (1-35) with MYH7 using the 5cj1 protein as a theoretical tool. Besides, omecamtiv mecarbil, blebbistatin, and mavacamten and aficamten drugs were used as controls in the DockingServer program. The results showed differences in the number of aminoacid residues involved in the interaction of alkyne analogues (1-35) with the 5cj1 protein surface compared to the controls. Other data indicate that the inhibition constant (Ki) was higher for alkyne derivatives 7, 12, and 34 compared with the omecamtiv mecarbil, blebbistatin, and mavacamten drugs. However, the Ki for compounds 7, 12, and 34 was lower compared to the alkyne derivatives 1-6, 8-11, 13-33, and 35. These data suggest that compounds 7, 12, and 34 may have good affinity for the 5cj1 protein surface, which could lead to inhibition of the biological activity of MYH7. Therefore, these compounds could represent promising candidates for further experimental evaluation using a hypertrophic cardiomyopathy model.
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Copyright (c) 2026 Enrique Bonilla-Zavaleta, Marcela Rosas Nexticapa, Magdalena Alvarez-Ramirez, Montserrat Alheli Melgarejo-Gutiérrez, Martha Paola Rascon-Diaz, Abril Ramírez-Higuera
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