论应用于治疗科罗娜病毒的雷米替韦化合物的分子结构

IF 2.4 3区化学 Q2 CHEMISTRY, ORGANIC Polycyclic Aromatic Compounds Pub Date : 2024-10-20 DOI:10.1080/10406638.2023.2271647

{"title":"论应用于治疗科罗娜病毒的雷米替韦化合物的分子结构","authors":"","doi":"10.1080/10406638.2023.2271647","DOIUrl":null,"url":null,"abstract":"<div><div>Coronavirus is a family of viruses that cause upper respiratory infections in humans. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a drug structure enables scientists to have a better understanding of the physical chemistry and biological characteristics of drugs. In this paper, we study topological indices and find the exact formulas for general topological indices <span><math><mrow><mi>m</mi><mi>S</mi><mrow><msub><mrow><mi>O</mi></mrow><mi>γ</mi></msub></mrow><mo>(</mo><mi>G</mi><mo>)</mo></mrow></math></span> and <span><math><mrow><mi>K</mi><mrow><msubsup><mrow><mi>A</mi></mrow><mrow><mo>(</mo><mi>γ</mi><mo>,</mo><mi>η</mi><mo>)</mo></mrow><mn>1</mn></msubsup></mrow><mo>(</mo><mi>G</mi><mo>)</mo></mrow><mo>.</mo></math></span> By the appropriate choice of parameters <em>γ</em> and <em>η</em>, several new/old inequalities that reveal topological indices are obtained.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"On the Molecular Structure of Remdesivir Compound Applied for the Treatment of Corona Virus\",\"authors\":\"\",\"doi\":\"10.1080/10406638.2023.2271647\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Coronavirus is a family of viruses that cause upper respiratory infections in humans. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a drug structure enables scientists to have a better understanding of the physical chemistry and biological characteristics of drugs. In this paper, we study topological indices and find the exact formulas for general topological indices <span><math><mrow><mi>m</mi><mi>S</mi><mrow><msub><mrow><mi>O</mi></mrow><mi>γ</mi></msub></mrow><mo>(</mo><mi>G</mi><mo>)</mo></mrow></math></span> and <span><math><mrow><mi>K</mi><mrow><msubsup><mrow><mi>A</mi></mrow><mrow><mo>(</mo><mi>γ</mi><mo>,</mo><mi>η</mi><mo>)</mo></mrow><mn>1</mn></msubsup></mrow><mo>(</mo><mi>G</mi><mo>)</mo></mrow><mo>.</mo></math></span> By the appropriate choice of parameters <em>γ</em> and <em>η</em>, several new/old inequalities that reveal topological indices are obtained.</div></div>\",\"PeriodicalId\":20303,\"journal\":{\"name\":\"Polycyclic Aromatic Compounds\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-10-20\",\"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/S1040663823020754\",\"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/S1040663823020754","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}

引用次数: 0

摘要

冠状病毒是导致人类上呼吸道感染的病毒家族。药物特性可以通过研究相应药物的分子结构来获得。通过计算药物结构的拓扑指数，科学家可以更好地了解药物的物理化学和生物学特性。本文对拓扑指数进行了研究，并找到了一般拓扑指数 mSOγ(G) 和 KA(γ,η)1(G) 的精确公式。通过对参数 γ 和 η 的适当选择，可以得到几个揭示拓扑指数的新/旧不等式。

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

微信好友朋友圈 QQ好友复制链接

本刊更多论文

On the Molecular Structure of Remdesivir Compound Applied for the Treatment of Corona Virus

Coronavirus is a family of viruses that cause upper respiratory infections in humans. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a drug structure enables scientists to have a better understanding of the physical chemistry and biological characteristics of drugs. In this paper, we study topological indices and find the exact formulas for general topological indices

m S O_{γ} (G)

and

K A_{(γ, η)}^{1} (G) .

By the appropriate choice of parameters γ and η, several new/old inequalities that reveal topological indices are obtained.

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

Polycyclic Aromatic Compounds 化学-有机化学

CiteScore

3.70

自引率

20.80%

发文量

412

审稿时长

3 months

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.