Búsqueda de posibles dianas terapéuticas para el cáncer papilar de tiroides (PTC)

Abstract

In the search for possible therapeutic targets through computational chemistry for papillary thyroid cancer (PTC), the design of drugs with docking tools is based on the analysis of the BRAF gene, where the best binding sites are mainly identified. Regarding energy stability, therefore, the virtual screening allowed to verify the drugability of said complexes that were created between protein and ligand, this represents a potential avenue of research for the development of an optimal and specific drug for said disease. The analysis within the databases of diseases such as MalaCards, Harmonizome, KEGG, OMIM, Unitpro, Disgenet, GeneReviews and Orphanet allowed to know the main genes that lead the carcinogenesis process in PTC, certain genes presented common dysfunctions so that it was possible to group and categorize them to then create a biological network of interaction with the help of Cytoscape and subsequently the metabolic pathways of these genes and the relationship between them were investigated bibliographically. In this way, the mutations that this target gene presents and the alterations in its metabolic pathway were identified. Finally, the mutations that the BRAF gene suffers were found to subsequently identify possible drugable sites that can create protein-ligand complexes, so that the existing drugs currently they were analyzed by screening and subsequent analysis of toxicological properties. Therefore, this bioinformatic study allowed to determine that the ligands Entrectinib, Bms-833923, Afacifenacin, Floxacrine, Olaparib, Nolpitantium, Aleplasinin present pharmacological potential for the BRAF gene.