酪氨酸肉桂蛋白抗菌和酪氨酸酶激活剂的发现、全合成及生物学评价

IF 6 2区 医学 Q1 CHEMISTRY, MEDICINAL
Di Mao , Baoyue Wei , Chao Liu , Bing Zhang , Zhiwei Zhang , Yuhan Zhang , Zhuang Li , Boxiang Ding , Hai Ye , Jingjing Wang , Lijuan Sun , Yanan Gai , Pengwei Yu , Hideaki Kakeya , Shan Lu
{"title":"酪氨酸肉桂蛋白抗菌和酪氨酸酶激活剂的发现、全合成及生物学评价","authors":"Di Mao ,&nbsp;Baoyue Wei ,&nbsp;Chao Liu ,&nbsp;Bing Zhang ,&nbsp;Zhiwei Zhang ,&nbsp;Yuhan Zhang ,&nbsp;Zhuang Li ,&nbsp;Boxiang Ding ,&nbsp;Hai Ye ,&nbsp;Jingjing Wang ,&nbsp;Lijuan Sun ,&nbsp;Yanan Gai ,&nbsp;Pengwei Yu ,&nbsp;Hideaki Kakeya ,&nbsp;Shan Lu","doi":"10.1016/j.ejmech.2025.117665","DOIUrl":null,"url":null,"abstract":"<div><div>Microorganisms serve as critical resources for the discovery of new antibacterial drug leads. Herein, we report the screening, isolation, and identification of tyrcinnamin (<strong>1</strong>) from the endophytic <em>Streptomyces</em> sp. JS-B1. The total synthesis, biological evaluation, and structural-activity relationship study of tyrcinnamin and its synthetic derivatives led to the discovery of <strong>7a</strong>, a promising lead compound with significant antibacterial activity, notable tyrosinase activation activity, and an excellent safety profile. The analysis of molecular docking of <strong>7a</strong> with mushroom tyrosinase reveals that <strong>7a</strong> may competitively occupy the binding site of <span>l</span>-DOPA on the surface of tyrosinase without interfering with the substrate binding at the active center, thereby reducing the ineffective occupancy of <span>l</span>-DOPA on the tyrosinase surface and improving the binding efficiency of <span>l</span>-DOPA at the active center. The structure of <strong>7a</strong> represents a new chemical scaffold for the development of new antibiotics and tyrosinase activators, making valuable contributions to both drug discovery and cosmetics development.</div></div>","PeriodicalId":314,"journal":{"name":"European Journal of Medicinal Chemistry","volume":"291 ","pages":"Article 117665"},"PeriodicalIF":6.0000,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Discovery, total synthesis, and biological evaluation of tyrcinnamins as antibacterial agents and tyrosinase activators\",\"authors\":\"Di Mao ,&nbsp;Baoyue Wei ,&nbsp;Chao Liu ,&nbsp;Bing Zhang ,&nbsp;Zhiwei Zhang ,&nbsp;Yuhan Zhang ,&nbsp;Zhuang Li ,&nbsp;Boxiang Ding ,&nbsp;Hai Ye ,&nbsp;Jingjing Wang ,&nbsp;Lijuan Sun ,&nbsp;Yanan Gai ,&nbsp;Pengwei Yu ,&nbsp;Hideaki Kakeya ,&nbsp;Shan Lu\",\"doi\":\"10.1016/j.ejmech.2025.117665\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Microorganisms serve as critical resources for the discovery of new antibacterial drug leads. Herein, we report the screening, isolation, and identification of tyrcinnamin (<strong>1</strong>) from the endophytic <em>Streptomyces</em> sp. JS-B1. The total synthesis, biological evaluation, and structural-activity relationship study of tyrcinnamin and its synthetic derivatives led to the discovery of <strong>7a</strong>, a promising lead compound with significant antibacterial activity, notable tyrosinase activation activity, and an excellent safety profile. The analysis of molecular docking of <strong>7a</strong> with mushroom tyrosinase reveals that <strong>7a</strong> may competitively occupy the binding site of <span>l</span>-DOPA on the surface of tyrosinase without interfering with the substrate binding at the active center, thereby reducing the ineffective occupancy of <span>l</span>-DOPA on the tyrosinase surface and improving the binding efficiency of <span>l</span>-DOPA at the active center. The structure of <strong>7a</strong> represents a new chemical scaffold for the development of new antibiotics and tyrosinase activators, making valuable contributions to both drug discovery and cosmetics development.</div></div>\",\"PeriodicalId\":314,\"journal\":{\"name\":\"European Journal of Medicinal Chemistry\",\"volume\":\"291 \",\"pages\":\"Article 117665\"},\"PeriodicalIF\":6.0000,\"publicationDate\":\"2025-04-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"European Journal of Medicinal Chemistry\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0223523425004301\",\"RegionNum\":2,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MEDICINAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"European Journal of Medicinal Chemistry","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0223523425004301","RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
引用次数: 0

摘要

微生物是发现新的抗菌药物线索的关键资源。本文报道了内生真菌Streptomyces sp. JS-B1中tyrcinnamin(1)的筛选、分离和鉴定。通过对tyrcinnamin及其合成衍生物的全合成、生物学评价和构效关系研究,发现了具有显著抗菌活性、显著酪氨酸酶活化活性和良好安全性的先导化合物7a。7a与蘑菇酪氨酸酶的分子对接分析表明,7a可以竞争性地占据酪氨酸酶表面L-DOPA的结合位点,而不干扰活性中心底物的结合,从而减少了L-DOPA在酪氨酸酶表面的无效占用,提高了L-DOPA在活性中心的结合效率。7a的结构为开发新的抗生素和酪氨酸酶激活剂提供了新的化学支架,在药物发现和化妆品开发方面都做出了宝贵的贡献。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Discovery, total synthesis, and biological evaluation of tyrcinnamins as antibacterial agents and tyrosinase activators

Discovery, total synthesis, and biological evaluation of tyrcinnamins as antibacterial agents and tyrosinase activators

Discovery, total synthesis, and biological evaluation of tyrcinnamins as antibacterial agents and tyrosinase activators
Microorganisms serve as critical resources for the discovery of new antibacterial drug leads. Herein, we report the screening, isolation, and identification of tyrcinnamin (1) from the endophytic Streptomyces sp. JS-B1. The total synthesis, biological evaluation, and structural-activity relationship study of tyrcinnamin and its synthetic derivatives led to the discovery of 7a, a promising lead compound with significant antibacterial activity, notable tyrosinase activation activity, and an excellent safety profile. The analysis of molecular docking of 7a with mushroom tyrosinase reveals that 7a may competitively occupy the binding site of l-DOPA on the surface of tyrosinase without interfering with the substrate binding at the active center, thereby reducing the ineffective occupancy of l-DOPA on the tyrosinase surface and improving the binding efficiency of l-DOPA at the active center. The structure of 7a represents a new chemical scaffold for the development of new antibiotics and tyrosinase activators, making valuable contributions to both drug discovery and cosmetics development.
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
CiteScore
11.70
自引率
9.00%
发文量
863
审稿时长
29 days
期刊介绍: The European Journal of Medicinal Chemistry is a global journal that publishes studies on all aspects of medicinal chemistry. It provides a medium for publication of original papers and also welcomes critical review papers. A typical paper would report on the organic synthesis, characterization and pharmacological evaluation of compounds. Other topics of interest are drug design, QSAR, molecular modeling, drug-receptor interactions, molecular aspects of drug metabolism, prodrug synthesis and drug targeting. The journal expects manuscripts to present the rational for a study, provide insight into the design of compounds or understanding of mechanism, or clarify the targets.
×
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