苯磺酰胺衍生物与Smyd3相互作用的理论模型

IF 1.1 4区农林科学 Q3 AGRICULTURE, DAIRY & ANIMAL SCIENCE

Brazilian Journal of Poultry Science Pub Date : 2023-08-18 DOI:10.14295/bjs.v3i1.455

Maria Lopez-Ramos, Lauro Figueroa-Valverde, Marcela Rosas-Nexicapa, Catalina Cervantes-Ortega, Magdalena Alvarez-Ramirez, Francisco Diaz-Cedillo, Maria Virginia Mateu-Armand, Tomas Lopez-Gutierrez

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引用次数: 0

摘要

癌症是世界范围内严重的公共卫生问题。这种临床病理与几种生物分子的激活/释放有关，包括Smyd蛋白家族。通过这种方式，一些研究表明Smyd3与癌细胞生长有关。值得一提的是，一些药物在治疗某些癌症时起到Smyd3抑制剂的作用。然而，它们的相互作用非常令人困惑;因此，本研究的目的是利用702c蛋白、novobiocin、BAY-6035、EPZ031686和BCI-121药物作为DockingServer程序的理论工具，对苯磺酰胺及其衍生物(化合物2 ~ 28)的理论相互作用进行评价。结果表明，与新生物素、BAY-6035、EPZ031686和BCI-121等药物相比，苯磺酰胺及其衍生物与702c蛋白表面相互作用的氨基酸残基存在差异。与苯磺酰胺、新生物素、BAY-6035、EPZ031686和BCI-121相比，苯磺酰胺衍生物2、7、8、13、14、17、20、21、24和28的抑制常数(Ki)极低。综上所述，苯磺酰胺衍生物2、7、8、13、14、17、20、21、24和28可作为抑制Smyd3肿瘤细胞生长的良好选择。

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Interaction of benzenesulfonamide derivatives with Smyd3 using a theoretical model

Cancer is a serious public health problem worldwide. This clinical pathology is associated with the activation/release of several biomolecules, including the Smyd proteins family. In this way, some studies indicate that Smyd3 is associated with cancer cells growth. It is important to mention that some drugs act as Smyd3 inhibitors in the treat some cancers. However, their interaction is very confusing; for this reason, the aim of this research was to evaluate the theoretical interaction of benzenesulfonamide and their derivatives (compounds 2 to 28) using 7o2c protein, novobiocin, BAY-6035, EPZ031686 and BCI-121 drugs as theoretical tools in DockingServer program. The results showed differences in the aminoacid residues involved in the interaction of benzenesulfonamide and their derivatives with 7o2c protein surface compared with novobiocin, BAY-6035, EPZ031686 and BCI-121 drugs. In additions, the inhibition constant (Ki) for benzenesulfonamide derivatives 2, 7, 8, 13, 14, 17, 20, 21, 24 and 28 was very lower compared to benzenesulfonamide, novobiocin, BAY-6035, EPZ031686 and BCI-121. In conclusion, the benzenesulfonamide derivatives 2, 7, 8, 13, 14, 17, 20, 21, 24 and 28 could be a good alternative as Smyd3 inhibitors to decrease cancer cells growth.

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来源期刊

Brazilian Journal of Poultry Science 农林科学-奶制品与动物科学

CiteScore

1.80

自引率

9.10%

发文量

审稿时长

>12 weeks

期刊介绍： A Revista Brasileira de Ciência Avícola surgiu em 1999 a partir da necessidade que a comunidade científica possuía de um periódico para veiculação e publicação de seus trabalhos, com a publicação de três números anuais. A Revista conta hoje com um corpo editorial altamente qualificado e com artigos científicos desenvolvidos pelos maiores especialistas da área, o que a cada dia atrai mais leitores em busca de inovação e respaldo técnico. Devido à credibilidade que conquistou pelos esforços de sus autores, relatores e revisores, a Revista ganhou caráter de coleção, sendo consultada como fonte segura de estudo desenvolvidos na Avicultura. A partir de 2003 – volume 5 -, a Revista passou a chamar-se Brazilian Journal of Poultry Science, e todos os trabalhos passaram a ser publicados em inglês. No mesmo ano subiu para quatro o número de revistas por volume, ampliando-se assim os trabalhos publicados anualmente.