Xin Liu , Wang Li , Yang Liu , Xiaoqing Wang , Qiao Shi , Wanzhen Yang , Jie Tu , Yan Wang , Chunquan Sheng , Na Liu
{"title":"发现治疗新生隐球菌和白色念珠菌感染的新型真菌 Jumonji H3K27 去甲基化酶抑制剂","authors":"Xin Liu , Wang Li , Yang Liu , Xiaoqing Wang , Qiao Shi , Wanzhen Yang , Jie Tu , Yan Wang , Chunquan Sheng , Na Liu","doi":"10.1016/j.ejmech.2024.117028","DOIUrl":null,"url":null,"abstract":"<div><div>Invasive fungal infections have become a serious public health problem. To tackle the challenges of limited efficacy in antifungal therapy and severe drug resistance, antifungal drugs with new mechanisms of action are urgently needed. Our previous study identified <strong>JIB-04</strong> to be an inhibitor of fungal histone demethylase (HDM). To promote target validation and inhibitor design, herein a series of new <strong>JIB-04</strong> derivatives were designed and synthesized. After the establishment of structure-activity relationship, compound <strong>A4</strong> was identified to possess potent antifungal activity against <em>Cryptococcus neoformans</em> and <em>Candida auris</em>. Compared to lead compound <strong>JIB-04</strong>, compound <strong>A4</strong> was a more potent HDM inhibitor and exhibited better water solubility, virulence factors inhibitory activity and <em>in vivo</em> antifungal potency. Collectively, this study further confirmed that fungal HDMs were potential antifungal targets and compound <strong>A4</strong> was a promising antifungal lead compound.</div></div>","PeriodicalId":314,"journal":{"name":"European Journal of Medicinal Chemistry","volume":"281 ","pages":"Article 117028"},"PeriodicalIF":6.0000,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Discovery of new fungal jumonji H3K27 demethylase inhibitors for the treatment of Cryptococcus neoformans and Candida auris infections\",\"authors\":\"Xin Liu , Wang Li , Yang Liu , Xiaoqing Wang , Qiao Shi , Wanzhen Yang , Jie Tu , Yan Wang , Chunquan Sheng , Na Liu\",\"doi\":\"10.1016/j.ejmech.2024.117028\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Invasive fungal infections have become a serious public health problem. To tackle the challenges of limited efficacy in antifungal therapy and severe drug resistance, antifungal drugs with new mechanisms of action are urgently needed. Our previous study identified <strong>JIB-04</strong> to be an inhibitor of fungal histone demethylase (HDM). To promote target validation and inhibitor design, herein a series of new <strong>JIB-04</strong> derivatives were designed and synthesized. After the establishment of structure-activity relationship, compound <strong>A4</strong> was identified to possess potent antifungal activity against <em>Cryptococcus neoformans</em> and <em>Candida auris</em>. Compared to lead compound <strong>JIB-04</strong>, compound <strong>A4</strong> was a more potent HDM inhibitor and exhibited better water solubility, virulence factors inhibitory activity and <em>in vivo</em> antifungal potency. Collectively, this study further confirmed that fungal HDMs were potential antifungal targets and compound <strong>A4</strong> was a promising antifungal lead compound.</div></div>\",\"PeriodicalId\":314,\"journal\":{\"name\":\"European Journal of Medicinal Chemistry\",\"volume\":\"281 \",\"pages\":\"Article 117028\"},\"PeriodicalIF\":6.0000,\"publicationDate\":\"2024-11-06\",\"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/S0223523424009103\",\"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/S0223523424009103","RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
Discovery of new fungal jumonji H3K27 demethylase inhibitors for the treatment of Cryptococcus neoformans and Candida auris infections
Invasive fungal infections have become a serious public health problem. To tackle the challenges of limited efficacy in antifungal therapy and severe drug resistance, antifungal drugs with new mechanisms of action are urgently needed. Our previous study identified JIB-04 to be an inhibitor of fungal histone demethylase (HDM). To promote target validation and inhibitor design, herein a series of new JIB-04 derivatives were designed and synthesized. After the establishment of structure-activity relationship, compound A4 was identified to possess potent antifungal activity against Cryptococcus neoformans and Candida auris. Compared to lead compound JIB-04, compound A4 was a more potent HDM inhibitor and exhibited better water solubility, virulence factors inhibitory activity and in vivo antifungal potency. Collectively, this study further confirmed that fungal HDMs were potential antifungal targets and compound A4 was a promising antifungal lead compound.
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.