A. Franklin Ebenazer, R. Selva Kumar, M. Saravanabhavan, K. S. Ramesh, N. Sampathkumar
{"title":"2-Formyl-8-Methyl-3-Carbethoxy Quinoline 对 SARS-CoV-2 冠状病毒蛋白酶 Mpro 的阻断作用","authors":"A. Franklin Ebenazer, R. Selva Kumar, M. Saravanabhavan, K. S. Ramesh, N. Sampathkumar","doi":"10.1007/s11237-024-09808-6","DOIUrl":null,"url":null,"abstract":"<p>According to molecular docking results (in silico calculations), main protease M<sup>pro</sup> of SARS-CoV-2 coronavirus can be blocked by 2-formyl-8-methyl-3-carbethoxy quinoline. The calculations as well as estimation of ADME profile (absorption, distribution, metabolism, and excretion) of this compound provide grounds to consider it as active ingredient against COVID-19 coronavirus, its efficiency is comparable with known inhibitors of SARS-CoV-2. The structure of 2-formyl-8-methyl-3-carbethoxy quinoline is determined by X-ray structure analysis.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"60 1","pages":"49 - 56"},"PeriodicalIF":0.7000,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Blocking of Protease Mpro of SARS-CoV-2 Coronavirus by 2-Formyl-8-Methyl-3-Carbethoxy Quinoline\",\"authors\":\"A. Franklin Ebenazer, R. Selva Kumar, M. Saravanabhavan, K. S. Ramesh, N. Sampathkumar\",\"doi\":\"10.1007/s11237-024-09808-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>According to molecular docking results (in silico calculations), main protease M<sup>pro</sup> of SARS-CoV-2 coronavirus can be blocked by 2-formyl-8-methyl-3-carbethoxy quinoline. The calculations as well as estimation of ADME profile (absorption, distribution, metabolism, and excretion) of this compound provide grounds to consider it as active ingredient against COVID-19 coronavirus, its efficiency is comparable with known inhibitors of SARS-CoV-2. The structure of 2-formyl-8-methyl-3-carbethoxy quinoline is determined by X-ray structure analysis.</p>\",\"PeriodicalId\":796,\"journal\":{\"name\":\"Theoretical and Experimental Chemistry\",\"volume\":\"60 1\",\"pages\":\"49 - 56\"},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2024-09-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Theoretical and Experimental Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11237-024-09808-6\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Theoretical and Experimental Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11237-024-09808-6","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Blocking of Protease Mpro of SARS-CoV-2 Coronavirus by 2-Formyl-8-Methyl-3-Carbethoxy Quinoline
According to molecular docking results (in silico calculations), main protease Mpro of SARS-CoV-2 coronavirus can be blocked by 2-formyl-8-methyl-3-carbethoxy quinoline. The calculations as well as estimation of ADME profile (absorption, distribution, metabolism, and excretion) of this compound provide grounds to consider it as active ingredient against COVID-19 coronavirus, its efficiency is comparable with known inhibitors of SARS-CoV-2. The structure of 2-formyl-8-methyl-3-carbethoxy quinoline is determined by X-ray structure analysis.
期刊介绍：
Theoretical and Experimental Chemistry is a journal for the rapid publication of research communications and reviews on modern problems of physical chemistry such as:
a) physicochemical bases, principles, and methods for creation of novel processes, compounds, and materials;
b) physicochemical principles of chemical process control, influence of external physical forces on chemical reactions;
c) physical nanochemistry, nanostructures and nanomaterials, functional nanomaterials, size-dependent properties of materials.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
