用理论模型评价香豆素及其衍生物作为Janus Kinase-3抑制剂的作用

IF 1.1 4区 农林科学 Q3 AGRICULTURE, DAIRY & ANIMAL SCIENCE
L. Figueroa-Valverde, López-Ramos Maria, Alvarez-Ramirez Magdalena, Rosas-Nexticapa Marcela, D. Francisco, M. Virginia, Lopez-Gutierrez Tomas
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引用次数: 0

摘要

几年来,癌症在人口中有所增加,成为世界范围内死亡的主要原因之一。这种临床病理与各种生物分子的激活/释放有关,包括Janus激酶家族(JAKs)。值得一提的是,一些研究表明,一些JAK抑制剂(ruxolitinib和tofacitinib)可能对某些自身免疫性疾病和癌症有显著影响;然而,其中一些药物会产生继发性影响,如带状疱疹、传染性、急性呼吸窘迫等。本研究的目的是评价香豆素及其衍生物(化合物2 ~ 24)与JAK-3表面的相互作用。这样,在DockinServer程序上,以3pjc蛋白和decernotinib或tofacitinib药物为理论工具,确定香豆素及其衍生物与JAK-3的相互作用。结果表明,与decernotinib和tofacitinib相比,香豆素及其衍生物与3pjc蛋白表面相互作用所涉及的氨基酸残基存在差异。与托法替尼相比,香豆素衍生物7、9和10的抑制常数(Ki)更低。然而,与decernotinib相比,Ki在2、5、7、8、9、10和24时较低。总之,香豆素衍生物2、5、7、8、9、10和24可作为JAK-3抑制剂的良好替代品,抑制癌细胞的生长。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Evaluation of coumarin and their derivatives as Janus Kinase-3 inhibitors using a theoretical model
For several years, cancer has increased in the population, being one of the main causes of death worldwide. This clinical pathology is associated with the activation/release of various biomolecules, including the Janus kinase family (JAKs). It is important to mention that some studies indicate that some JAK inhibitors (ruxolitinib and tofacitinib) may have a significant effect on some autoimmune diseases and cancer; however, some of these drugs can produce secondary effects such as herpes zoster, infectious, acute respiratory distress and others. The aim of this study was to evaluate the interaction of coumarin and its derivatives (compounds 2 to 24) with the JAK-3 surface. In this way, the Interaction of coumarin and their derivatives with JAK-3 was determined using the 3pjc protein and either decernotinib or tofacitinib drugs as theoretical tools on DockinServer program. The results showed differences in the aminoacid residues involved in the interaction of coumarin and their derivatives with 3pjc protein surface compared with decernotinib and tofacitinib. Besides, the inhibition constant (Ki) for coumarin derivatives 7, 9 and 10 was lower compared with tofacitinib. However, Ki was lower for 2, 5, 7, 8, 9, 10, and 24 compared with decernotinib. In conclusion, the coumarin derivatives 2, 5, 7, 8, 9, 10, and 24 could be good alternatives as JAK-3 inhibitors to decrease cancer cells growth.    
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来源期刊
Brazilian Journal of Poultry Science
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
60
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.
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