新型喹啉衍生物的探索：通过设计、合成和生物学评价揭示抗癌潜力

IF 1.7 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Chemical Sciences Pub Date : 2025-03-29 DOI:10.1007/s12039-025-02362-1

Janaiah Chevula, Saikrishna Balabadra, Ramakrishna Munnaluri, Vijjulatha Manga

{"title":"新型喹啉衍生物的探索：通过设计、合成和生物学评价揭示抗癌潜力","authors":"Janaiah Chevula, Saikrishna Balabadra, Ramakrishna Munnaluri, Vijjulatha Manga","doi":"10.1007/s12039-025-02362-1","DOIUrl":null,"url":null,"abstract":"A novel series of quinoline derivatives were designed and synthesized for anticancer activity targeting epidermal growth factor receptor (EGFR) tyrosine kinase. The structures of all synthesized derivatives were confirmed by 1H-NMR, 13C-NMR, FTIR and mass spectrometry. Most of the compounds showed good activity against MCF-7 and HeLa cancer cell lines. Compound 4a showed good antiproliferative activity against MCF-7 (IC50 \\(=\\) 36.07 μM) and HeLa (IC50 \\(=\\) 17.06 μM) cancer cell lines. Moreover, molecular docking and Prime/MM-GBSA results showed that compound 4a formed hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase (PDB ID: 1M17).\n","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploration of novel quinoline derivatives: Anticancer potential revealed through design, synthesis and biological evaluation\",\"authors\":\"Janaiah Chevula, Saikrishna Balabadra, Ramakrishna Munnaluri, Vijjulatha Manga\",\"doi\":\"10.1007/s12039-025-02362-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A novel series of quinoline derivatives were designed and synthesized for anticancer activity targeting epidermal growth factor receptor (EGFR) tyrosine kinase. The structures of all synthesized derivatives were confirmed by 1H-NMR, 13C-NMR, FTIR and mass spectrometry. Most of the compounds showed good activity against MCF-7 and HeLa cancer cell lines. Compound 4a showed good antiproliferative activity against MCF-7 (IC50 \\\\(=\\\\) 36.07 μM) and HeLa (IC50 \\\\(=\\\\) 17.06 μM) cancer cell lines. Moreover, molecular docking and Prime/MM-GBSA results showed that compound 4a formed hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase (PDB ID: 1M17).\\n\",\"PeriodicalId\":616,\"journal\":{\"name\":\"Journal of Chemical Sciences\",\"volume\":\"137 2\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-03-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Sciences\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12039-025-02362-1\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Sciences","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s12039-025-02362-1","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

摘要

以表皮生长因子受体（EGFR）酪氨酸激酶为靶点，设计合成了一系列具有抗癌活性的喹啉衍生物。通过1H-NMR、13C-NMR、FTIR和质谱等手段对合成产物的结构进行了确证。大多数化合物对MCF-7和HeLa癌细胞具有良好的活性。化合物4a对MCF-7 （IC50 \(=\) 36.07 μM）和HeLa （IC50 \(=\) 17.06 μM）癌细胞具有良好的抗增殖活性。此外，分子对接和Prime/MM-GBSA结果表明，化合物4a与EGFR酪氨酸激酶（PDB ID: 1M17）的Met 769和Asp 831残基形成氢键。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Exploration of novel quinoline derivatives: Anticancer potential revealed through design, synthesis and biological evaluation

A novel series of quinoline derivatives were designed and synthesized for anticancer activity targeting epidermal growth factor receptor (EGFR) tyrosine kinase. The structures of all synthesized derivatives were confirmed by ¹H-NMR, ¹³C-NMR, FTIR and mass spectrometry. Most of the compounds showed good activity against MCF-7 and HeLa cancer cell lines. Compound 4a showed good antiproliferative activity against MCF-7 (IC₅₀ \(=\) 36.07 μM) and HeLa (IC₅₀ \(=\) 17.06 μM) cancer cell lines. Moreover, molecular docking and Prime/MM-GBSA results showed that compound 4a formed hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase (PDB ID: 1M17).

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Journal of Chemical Sciences CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

3.10

自引率

5.90%

发文量

107

审稿时长

1 months

期刊介绍： Journal of Chemical Sciences is a monthly journal published by the Indian Academy of Sciences. It formed part of the original Proceedings of the Indian Academy of Sciences – Part A, started by the Nobel Laureate Prof C V Raman in 1934, that was split in 1978 into three separate journals. It was renamed as Journal of Chemical Sciences in 2004. The journal publishes original research articles and rapid communications, covering all areas of chemical sciences. A significant feature of the journal is its special issues, brought out from time to time, devoted to conference symposia/proceedings in frontier areas of the subject, held not only in India but also in other countries.