异烟肼片段功能化3-羟基-4-吡啶酮的设计：结构表征和抑菌评价

IF 1.8 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Mendeleev Communications Pub Date : 2024-11-01 DOI:10.1016/j.mencom.2024.10.026

Marina A. Katkova , Galina S. Zabrodina , Roman V. Rumyantcev , Grigory Yu. Zhigulin , Ivan V. Skabitsky , Irina G. Fomina , Olga B. Bekker , Sergey Yu. Ketkov , Igor L. Eremenko

{"title":"异烟肼片段功能化3-羟基-4-吡啶酮的设计：结构表征和抑菌评价","authors":"Marina A. Katkova , Galina S. Zabrodina , Roman V. Rumyantcev , Grigory Yu. Zhigulin , Ivan V. Skabitsky , Irina G. Fomina , Olga B. Bekker , Sergey Yu. Ketkov , Igor L. Eremenko","doi":"10.1016/j.mencom.2024.10.026","DOIUrl":null,"url":null,"abstract":"<div><div>A new 3-hydroxy-4-pyridinone ligand, <em>viz</em>. <em>N</em>-(3-hydroxy-2-methyl-4-oxo-4<em>H</em>-pyridin-1-yl)isonicotinamide bearing isoniazid fragment, was synthesized and characterized. The differences in molecular and electronic structures of the product compared to the parent isoniazid (INH) were revealed by X-ray diffraction and DFT calculations. They are responsible for a dramatic decrease in the antimyco- bacterial activity of the product in comparison with INH.</div></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 6","pages":"Pages 850-853"},"PeriodicalIF":1.8000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Insight into design of 3-hydroxy-4-pyridinone functionalized with isoniazid fragment: structural characterization and antimycobacterial evaluation\",\"authors\":\"Marina A. Katkova , Galina S. Zabrodina , Roman V. Rumyantcev , Grigory Yu. Zhigulin , Ivan V. Skabitsky , Irina G. Fomina , Olga B. Bekker , Sergey Yu. Ketkov , Igor L. Eremenko\",\"doi\":\"10.1016/j.mencom.2024.10.026\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>A new 3-hydroxy-4-pyridinone ligand, <em>viz</em>. <em>N</em>-(3-hydroxy-2-methyl-4-oxo-4<em>H</em>-pyridin-1-yl)isonicotinamide bearing isoniazid fragment, was synthesized and characterized. The differences in molecular and electronic structures of the product compared to the parent isoniazid (INH) were revealed by X-ray diffraction and DFT calculations. They are responsible for a dramatic decrease in the antimyco- bacterial activity of the product in comparison with INH.</div></div>\",\"PeriodicalId\":18542,\"journal\":{\"name\":\"Mendeleev Communications\",\"volume\":\"34 6\",\"pages\":\"Pages 850-853\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2024-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Mendeleev Communications\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0959943624003249\",\"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":"Mendeleev Communications","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0959943624003249","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

合成了一种新的3-羟基-4-吡啶酮配体，即N-（3-羟基-2-甲基-4-氧-4-吡啶-1-基）异烟酰胺异烟肼片段。通过x射线衍射和DFT计算，揭示了产物与母体异烟肼（INH）分子和电子结构的差异。与INH相比，它们是导致产品抗真菌活性急剧下降的原因。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Insight into design of 3-hydroxy-4-pyridinone functionalized with isoniazid fragment: structural characterization and antimycobacterial evaluation

查看原文本刊更多论文

Insight into design of 3-hydroxy-4-pyridinone functionalized with isoniazid fragment: structural characterization and antimycobacterial evaluation

A new 3-hydroxy-4-pyridinone ligand, viz. N-(3-hydroxy-2-methyl-4-oxo-4H-pyridin-1-yl)isonicotinamide bearing isoniazid fragment, was synthesized and characterized. The differences in molecular and electronic structures of the product compared to the parent isoniazid (INH) were revealed by X-ray diffraction and DFT calculations. They are responsible for a dramatic decrease in the antimyco- bacterial activity of the product in comparison with INH.

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

Mendeleev Communications 化学-化学综合

CiteScore

3.00

自引率

21.10%

发文量

226

审稿时长

4-8 weeks

期刊介绍： Mendeleev Communications is the journal of the Russian Academy of Sciences, launched jointly by the Academy of Sciences of the USSR and the Royal Society of Chemistry (United Kingdom) in 1991. Starting from 1st January 2007, Elsevier is the new publishing partner of Mendeleev Communications. Mendeleev Communications publishes short communications in chemistry. The journal primarily features papers from the Russian Federation and the other states of the former USSR. However, it also includes papers by authors from other parts of the world. Mendeleev Communications is not a translated journal, but instead is published directly in English. The International Editorial Board is composed of eminent scientists who provide advice on refereeing policy.