L. Figueroa-Valverde, López-Ramos Maria, Alvarez-Ramirez Magdalena, Rosas-Nexticapa Marcela, D. Francisco, M. Virginia, Lopez-Gutierrez Tomas
{"title":"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","authors":"L. Figueroa-Valverde, López-Ramos Maria, Alvarez-Ramirez Magdalena, Rosas-Nexticapa Marcela, D. Francisco, M. Virginia, Lopez-Gutierrez Tomas","doi":"10.14295/bjs.v2i12.423","DOIUrl":null,"url":null,"abstract":"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.\n \n ","PeriodicalId":9244,"journal":{"name":"Brazilian Journal of Poultry Science","volume":"48 1","pages":""},"PeriodicalIF":1.1000,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Evaluation of coumarin and their derivatives as Janus Kinase-3 inhibitors using a theoretical model\",\"authors\":\"L. Figueroa-Valverde, López-Ramos Maria, Alvarez-Ramirez Magdalena, Rosas-Nexticapa Marcela, D. Francisco, M. Virginia, Lopez-Gutierrez Tomas\",\"doi\":\"10.14295/bjs.v2i12.423\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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.\\n \\n \",\"PeriodicalId\":9244,\"journal\":{\"name\":\"Brazilian Journal of Poultry Science\",\"volume\":\"48 1\",\"pages\":\"\"},\"PeriodicalIF\":1.1000,\"publicationDate\":\"2023-06-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Brazilian Journal of Poultry Science\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://doi.org/10.14295/bjs.v2i12.423\",\"RegionNum\":4,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"AGRICULTURE, DAIRY & ANIMAL SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Brazilian Journal of Poultry Science","FirstCategoryId":"97","ListUrlMain":"https://doi.org/10.14295/bjs.v2i12.423","RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"AGRICULTURE, DAIRY & ANIMAL SCIENCE","Score":null,"Total":0}
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.
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.