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新型喹喔啉-2-氧基乙酸腙的设计、合成、抗真菌活性及 3D-QSAR 研究。

Design, Synthesis, Antifungal Activity, and 3D-QSAR Study of Novel Quinoxaline-2-Oxyacetate Hydrazide.

机构信息

Jiangsu Key Laboratory of Pesticide Science, College of Sciences, Nanjing Agricultural University, Nanjing 210095, China.

出版信息

Molecules. 2024 May 25;29(11):2501. doi: 10.3390/molecules29112501.

Abstract

Plant pathogenic fungi pose a major threat to global food security, ecosystem services, and human livelihoods. Effective and broad-spectrum fungicides are needed to combat these pathogens. In this study, a novel antifungal 2-oxyacetate hydrazide quinoxaline scaffold as a simple analogue was designed and synthesized. Their antifungal activities were evaluated against (), (), (), (), (), and (). These results demonstrated that most compounds exhibited remarkable inhibitory activities and possessed better efficacy than ridylbacterin, such as compound (EC = 0.87 μg/mL against , EC = 1.01 μg/mL against ) and compound (EC = 1.54 μg/mL against , EC = 0.20 μg/mL against ). The 3D-QSAR analysis of quinoxaline-2-oxyacetate hydrazide derivatives has provided new insights into the design and optimization of novel antifungal drug molecules based on quinoxaline.

摘要

植物病原真菌对全球粮食安全、生态系统服务和人类生计构成重大威胁。需要有效的、广谱的杀菌剂来对抗这些病原体。在这项研究中,设计并合成了一种新型的抗真菌 2-氧代乙酸肼喹喔啉支架作为简单类似物。评估了它们对()、()、()、()、()和()的抗真菌活性。这些结果表明,大多数化合物表现出显著的抑制活性,并且比利迪链菌素具有更好的效果,例如化合物(EC=0.87μg/mL 对 ,EC=1.01μg/mL 对 )和化合物(EC=1.54μg/mL 对 ,EC=0.20μg/mL 对 )。喹喔啉-2-氧代乙酸肼衍生物的 3D-QSAR 分析为基于喹喔啉的新型抗真菌药物分子的设计和优化提供了新的见解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2887/11173898/9d926ac4af57/molecules-29-02501-g001.jpg

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