{"title":"香豆素-哌嗪系 1,2,3-三唑类化合物：表皮生长因子受体靶向抗乳腺癌评估和分子对接研究","authors":"","doi":"10.1080/10406638.2023.2265026","DOIUrl":null,"url":null,"abstract":"<div><div>We synthesized a new series of coumarin-piperazine 1,2,3-triazole hybrids (<strong>7a–7n</strong>) and screened for their <em>in vitro</em> anti-breast cancer activity against MCF-7, MDA-MB-468, and MDA-MB-231 cancer cell lines. The results revealed that compound <strong>7f</strong> showed superior activity against all cell lines than the standard drug 5-fluorouracil. As well, compounds <strong>7e</strong>, <strong>7h</strong>, and <strong>7k</strong> showed greater activity against MCF-7 than the positive control. Furthermore, <strong>7f</strong> and <strong>7h</strong> showed higher potency in inhibiting tyrosine kinase epidermal growth factor receptor (EGFR) than the standard drug erlotinib. Finally, <em>in silico</em> molecular docking studies on EGFR (PDB ID-4HJO) revealed that compounds <strong>7e</strong>, <strong>7f</strong>, <strong>7h</strong>, and <strong>7k</strong> possess good binding energies and inhibition constants as compared to erlotinib.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Coumarin-Piperazine Tethered 1,2,3-Triazoles: EGFR Targeting Anti-Breast Cancer Evaluation and Molecular Docking Studies\",\"authors\":\"\",\"doi\":\"10.1080/10406638.2023.2265026\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>We synthesized a new series of coumarin-piperazine 1,2,3-triazole hybrids (<strong>7a–7n</strong>) and screened for their <em>in vitro</em> anti-breast cancer activity against MCF-7, MDA-MB-468, and MDA-MB-231 cancer cell lines. The results revealed that compound <strong>7f</strong> showed superior activity against all cell lines than the standard drug 5-fluorouracil. As well, compounds <strong>7e</strong>, <strong>7h</strong>, and <strong>7k</strong> showed greater activity against MCF-7 than the positive control. Furthermore, <strong>7f</strong> and <strong>7h</strong> showed higher potency in inhibiting tyrosine kinase epidermal growth factor receptor (EGFR) than the standard drug erlotinib. Finally, <em>in silico</em> molecular docking studies on EGFR (PDB ID-4HJO) revealed that compounds <strong>7e</strong>, <strong>7f</strong>, <strong>7h</strong>, and <strong>7k</strong> possess good binding energies and inhibition constants as compared to erlotinib.</div></div>\",\"PeriodicalId\":20303,\"journal\":{\"name\":\"Polycyclic Aromatic Compounds\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-09-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Polycyclic Aromatic Compounds\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S1040663823020675\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ORGANIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polycyclic Aromatic Compounds","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1040663823020675","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
Coumarin-Piperazine Tethered 1,2,3-Triazoles: EGFR Targeting Anti-Breast Cancer Evaluation and Molecular Docking Studies
We synthesized a new series of coumarin-piperazine 1,2,3-triazole hybrids (7a–7n) and screened for their in vitro anti-breast cancer activity against MCF-7, MDA-MB-468, and MDA-MB-231 cancer cell lines. The results revealed that compound 7f showed superior activity against all cell lines than the standard drug 5-fluorouracil. As well, compounds 7e, 7h, and 7k showed greater activity against MCF-7 than the positive control. Furthermore, 7f and 7h showed higher potency in inhibiting tyrosine kinase epidermal growth factor receptor (EGFR) than the standard drug erlotinib. Finally, in silico molecular docking studies on EGFR (PDB ID-4HJO) revealed that compounds 7e, 7f, 7h, and 7k possess good binding energies and inhibition constants as compared to erlotinib.
期刊介绍：
The purpose of Polycyclic Aromatic Compounds is to provide an international and interdisciplinary forum for all aspects of research related to polycyclic aromatic compounds (PAC). Topics range from fundamental research in chemistry (including synthetic and theoretical chemistry) and physics (including astrophysics), as well as thermodynamics, spectroscopy, analytical methods, and biology to applied studies in environmental science, biochemistry, toxicology, and industry. Polycyclic Aromatic Compounds has an outstanding Editorial Board and offers a rapid and efficient peer review process, as well as a flexible open access policy.
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