一些新合成的 2-芳酰基-1-乙酰基肼衍生物：评估其作为治疗剂的生物活性

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-10-18 DOI:10.1016/j.molstruc.2024.140185

Eman Fayad , Hanadi A. Katouah , Samah S. Abuzahrah , Ola A. Abu Ali , Arwa sultan Alqahtani , Fawziah A. Al-Salmi , Dalal Sulaiman Alshaya , Ali H. Abu Almaaty , Fahmy Gad Elsaid , N.A. Farouk , Mohamed Ahmed Elian Sophy

{"title":"一些新合成的 2-芳酰基-1-乙酰基肼衍生物：评估其作为治疗剂的生物活性","authors":"Eman Fayad , Hanadi A. Katouah , Samah S. Abuzahrah , Ola A. Abu Ali , Arwa sultan Alqahtani , Fawziah A. Al-Salmi , Dalal Sulaiman Alshaya , Ali H. Abu Almaaty , Fahmy Gad Elsaid , N.A. Farouk , Mohamed Ahmed Elian Sophy","doi":"10.1016/j.molstruc.2024.140185","DOIUrl":null,"url":null,"abstract":"<div><div>Our study provides valuable insights into the anti-cancer activity of novel acetyl hydrazine derivatives as TOP2B inhibitors in breast cancer cells. Molecular docking studies were performed to evaluate the putative bonding mode of the synthesized compounds <strong>(3a, 4, 5a,b, and 6a,b)</strong>. The obtained compounds were characterized using <sup>1</sup>H NMR and <sup>13</sup>C NMR. Most of the compounds exhibited significant inhibitory activity against breast cancer cell lines. Among them, compound <strong>(6b)</strong> demonstrated a remarkable anti-cancer effect by inducing G2/M phase cell cycle arrest and apoptosis.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":null,"pages":null},"PeriodicalIF":4.0000,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Some novel synthesis 2-aroyl-1-acetylhydrazine derivatives: An assessment of their biological activity as therapeutic agents\",\"authors\":\"Eman Fayad , Hanadi A. Katouah , Samah S. Abuzahrah , Ola A. Abu Ali , Arwa sultan Alqahtani , Fawziah A. Al-Salmi , Dalal Sulaiman Alshaya , Ali H. Abu Almaaty , Fahmy Gad Elsaid , N.A. Farouk , Mohamed Ahmed Elian Sophy\",\"doi\":\"10.1016/j.molstruc.2024.140185\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Our study provides valuable insights into the anti-cancer activity of novel acetyl hydrazine derivatives as TOP2B inhibitors in breast cancer cells. Molecular docking studies were performed to evaluate the putative bonding mode of the synthesized compounds <strong>(3a, 4, 5a,b, and 6a,b)</strong>. The obtained compounds were characterized using <sup>1</sup>H NMR and <sup>13</sup>C NMR. Most of the compounds exhibited significant inhibitory activity against breast cancer cell lines. Among them, compound <strong>(6b)</strong> demonstrated a remarkable anti-cancer effect by inducing G2/M phase cell cycle arrest and apoptosis.</div></div>\",\"PeriodicalId\":16414,\"journal\":{\"name\":\"Journal of Molecular Structure\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2024-10-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Structure\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022286024026942\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286024026942","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

摘要

我们的研究为新型乙酰肼衍生物作为 TOP2B 抑制剂在乳腺癌细胞中的抗癌活性提供了宝贵的见解。我们进行了分子对接研究，以评估合成化合物（3a、4、5a,b 和 6a,b）的推定键合模式。利用 1H NMR 和 13C NMR 对所获化合物进行了表征。大多数化合物对乳腺癌细胞株具有明显的抑制活性。其中，化合物（6b）通过诱导 G2/M 期细胞周期停滞和细胞凋亡，表现出显著的抗癌效果。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Some novel synthesis 2-aroyl-1-acetylhydrazine derivatives: An assessment of their biological activity as therapeutic agents

查看原文本刊更多论文

Some novel synthesis 2-aroyl-1-acetylhydrazine derivatives: An assessment of their biological activity as therapeutic agents

Our study provides valuable insights into the anti-cancer activity of novel acetyl hydrazine derivatives as TOP2B inhibitors in breast cancer cells. Molecular docking studies were performed to evaluate the putative bonding mode of the synthesized compounds (3a, 4, 5a,b, and 6a,b). The obtained compounds were characterized using ¹H NMR and ¹³C NMR. Most of the compounds exhibited significant inhibitory activity against breast cancer cell lines. Among them, compound (6b) demonstrated a remarkable anti-cancer effect by inducing G2/M phase cell cycle arrest and apoptosis.

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 Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.