In silico Study, Molecular Docking and Synthesis of 2-Amino thiazole Derivatives using Green Chemistry Approach as Antioxidant Agent

Dhanshri R. Mali, Anjali Popat Ghuhe, Nikita Murlidhar Khairnar, Sakshi Milind Kothawade
{"title":"In silico Study, Molecular Docking and Synthesis of 2-Amino thiazole\nDerivatives using Green Chemistry Approach as Antioxidant Agent","authors":"Dhanshri R. Mali, Anjali Popat Ghuhe, Nikita Murlidhar Khairnar, Sakshi Milind Kothawade","doi":"10.14233/ajomc.2022.ajomc-p402","DOIUrl":null,"url":null,"abstract":"A series of novel 2-aminothiazole derivatives were synthesized by microwave assisted method as a green chemistry approach and characterized by spectral techniques and elemental analysis. The antioxidant potential of the derivatives was determined by using molecular docking against two different oxidoreductase protein (PDB: 2CDU and 3NM8). Compounds 3a and 3d show the stronger binding affinity to the target protein. The synthesized drug was pharmacologically evaluated for the antioxidant activity using ascorbic acid as a reference drug, where compound 3a showed the highest inhibition.","PeriodicalId":8544,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Asian Journal of Organic & Medicinal Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.14233/ajomc.2022.ajomc-p402","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

A series of novel 2-aminothiazole derivatives were synthesized by microwave assisted method as a green chemistry approach and characterized by spectral techniques and elemental analysis. The antioxidant potential of the derivatives was determined by using molecular docking against two different oxidoreductase protein (PDB: 2CDU and 3NM8). Compounds 3a and 3d show the stronger binding affinity to the target protein. The synthesized drug was pharmacologically evaluated for the antioxidant activity using ascorbic acid as a reference drug, where compound 3a showed the highest inhibition.
绿色化学方法下2-氨基噻唑衍生物抗氧化剂的硅研究、分子对接及合成
采用绿色化学方法,利用微波辅助合成了一系列新的2-氨基噻唑衍生物,并用光谱技术和元素分析对其进行了表征。通过分子对接两种不同的氧化还原酶蛋白(PDB: 2CDU和3NM8),测定了衍生物的抗氧化能力。化合物3a和3d与靶蛋白的结合亲和力较强。以抗坏血酸为对照药物对合成药物进行抗氧化活性药理学评价,其中化合物3a的抑制作用最强。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信