{"title":"具有抗癌意义的新型 4-氨基取代 2-(4-溴苄基)-5,6,7,8-四氢苯并[4,5]噻吩并[2,3-d]嘧啶的设计与高效合成及其硅学研究","authors":"Sahil Arora, Shikha Thakur, V. Kaki, RAJ Kumar","doi":"10.1055/a-2367-1675","DOIUrl":null,"url":null,"abstract":"Thienopyrimidines are one of the emerging classes among fused pyrimidines owing to their broad spectrum of pharmacological properties, including antimicrobial, anti-inflammatory, antimalarial, anticancer, etc. The anticancer activity of these compounds is mechanistically proven via the inhibition of validated drug targets such as EGFR, VEGFR-2, PI3K, and c-kit. In this research article, we designed and attempted synthesis of new 4-amino substituted 2-(4-bromobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines to explore their anticancer potential further. These heterocycles were designed based on pharmacophoric features of the core heterocycle, varying its C-4 substitution with a variety of amines and considering cancer protein-ligand interactions aiming to get potent lead molecules. The target compound-protein interaction complexes were analyzed, and lead compounds were identified based on their better binding affinity in molecular docking studies.","PeriodicalId":501298,"journal":{"name":"Synthesis","volume":"75 12","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Design and Efficient Synthesis of New 4-Amino Substituted 2-(4-bromobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines of Anticancer Interest and their In Silico Study\",\"authors\":\"Sahil Arora, Shikha Thakur, V. Kaki, RAJ Kumar\",\"doi\":\"10.1055/a-2367-1675\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Thienopyrimidines are one of the emerging classes among fused pyrimidines owing to their broad spectrum of pharmacological properties, including antimicrobial, anti-inflammatory, antimalarial, anticancer, etc. The anticancer activity of these compounds is mechanistically proven via the inhibition of validated drug targets such as EGFR, VEGFR-2, PI3K, and c-kit. In this research article, we designed and attempted synthesis of new 4-amino substituted 2-(4-bromobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines to explore their anticancer potential further. These heterocycles were designed based on pharmacophoric features of the core heterocycle, varying its C-4 substitution with a variety of amines and considering cancer protein-ligand interactions aiming to get potent lead molecules. The target compound-protein interaction complexes were analyzed, and lead compounds were identified based on their better binding affinity in molecular docking studies.\",\"PeriodicalId\":501298,\"journal\":{\"name\":\"Synthesis\",\"volume\":\"75 12\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-07-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Synthesis\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1055/a-2367-1675\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Synthesis","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1055/a-2367-1675","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Design and Efficient Synthesis of New 4-Amino Substituted 2-(4-bromobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines of Anticancer Interest and their In Silico Study
Thienopyrimidines are one of the emerging classes among fused pyrimidines owing to their broad spectrum of pharmacological properties, including antimicrobial, anti-inflammatory, antimalarial, anticancer, etc. The anticancer activity of these compounds is mechanistically proven via the inhibition of validated drug targets such as EGFR, VEGFR-2, PI3K, and c-kit. In this research article, we designed and attempted synthesis of new 4-amino substituted 2-(4-bromobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines to explore their anticancer potential further. These heterocycles were designed based on pharmacophoric features of the core heterocycle, varying its C-4 substitution with a variety of amines and considering cancer protein-ligand interactions aiming to get potent lead molecules. The target compound-protein interaction complexes were analyzed, and lead compounds were identified based on their better binding affinity in molecular docking studies.