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 , 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","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 , 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\",\"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}
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.
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.