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Degradation-Risk-Inspired Optimization of the Antifungal Oxazolinyl Aniline Lead by a Fusion of Triazole with Nicotinamide
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2024-07-24 , DOI: 10.1021/acs.jafc.4c02025 Mengyang Li 1 , Wenlong Kong 1 , Shengxin Sun 1 , Xiaodan He 1 , Shengkun Li 1
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2024-07-24 , DOI: 10.1021/acs.jafc.4c02025 Mengyang Li 1 , Wenlong Kong 1 , Shengxin Sun 1 , Xiaodan He 1 , Shengkun Li 1
Affiliation
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The discovery of readily available and easily modifiable new models is a crucial and practical solution for agrochemical innovation. Antifungal function-oriented fusion of triazole with the prevalidated lead (R)-LE001 affords a novel framework with a broad and enhanced antifungal spectrum. Characterized by the easy accessibility and adjustability of [1,2,4]triazolo[4,3-a]pyridine, modular fine-tuning provided a set of unprecedented leads (e.g., Z23, Z25, Z26, etc.) with superior antifungal potentials than the positive control boscalid. Candidate Z23 exhibited a more promising antifungal activity against Sclerotinia sclerotiorum, Botrytis cinerea, and Phytophthora capsici with EC50 values of 0.7, 0.6, and 0.5 μM, respectively. This candidate could effectively control boscalid-resistant B. cinerea strains and also exhibit good vivo efficacy in controlling gray mold. Noteworthily, both the SDH-inhibition and the efficiency against Oomycete P. capsici are quite distinct from that of the positive control boscalid. A molecular docking simulation also differentiates Z23 from boscalid. These findings highlight the potential of [1,2,4]triazolo[4,3-a]pyridine amide as a novel antifungal model.
中文翻译：
基于三唑与烟酰胺融合的抗真菌恶唑啉基苯胺先导化合物的降解风险优化
发现现成且易于修改的新模型是农用化学品创新的关键且实用的解决方案。三唑与预先验证的先导 ( R ) -LE001的抗真菌功能导向融合提供了具有广泛且增强的抗真菌谱的新颖框架。模块化微调以[1,2,4]三唑并[4,3- a ]吡啶的易接近性和可调节性为特点，提供了一组前所未有的具有优异抗真菌作用的导联（例如Z23 、 Z25 、 Z26等）电位高于阳性对照啶酰菌胺。候选Z23对核盘菌、灰葡萄孢和辣椒疫霉表现出更有前景的抗真菌活性，EC 50值分别为0.7、0.6和0.5 μM。该候选药物可以有效控制啶酰菌胺抗性灰霉病菌菌株，并且在控制灰霉病方面也表现出良好的体内功效。值得注意的是，SDH 抑制作用和针对卵菌P. capsici的效率均与阳性对照啶酰菌胺截然不同。分子对接模拟也将Z23与啶酰菌胺区分开来。这些发现凸显了[1,2,4]三唑并[4,3- a ]吡啶酰胺作为新型抗真菌模型的潜力。
更新日期：2024-07-24
中文翻译：
基于三唑与烟酰胺融合的抗真菌恶唑啉基苯胺先导化合物的降解风险优化
发现现成且易于修改的新模型是农用化学品创新的关键且实用的解决方案。三唑与预先验证的先导 ( R ) -LE001的抗真菌功能导向融合提供了具有广泛且增强的抗真菌谱的新颖框架。模块化微调以[1,2,4]三唑并[4,3- a ]吡啶的易接近性和可调节性为特点，提供了一组前所未有的具有优异抗真菌作用的导联（例如Z23 、 Z25 、 Z26等）电位高于阳性对照啶酰菌胺。候选Z23对核盘菌、灰葡萄孢和辣椒疫霉表现出更有前景的抗真菌活性，EC 50值分别为0.7、0.6和0.5 μM。该候选药物可以有效控制啶酰菌胺抗性灰霉病菌菌株，并且在控制灰霉病方面也表现出良好的体内功效。值得注意的是，SDH 抑制作用和针对卵菌P. capsici的效率均与阳性对照啶酰菌胺截然不同。分子对接模拟也将Z23与啶酰菌胺区分开来。这些发现凸显了[1,2,4]三唑并[4,3- a ]吡啶酰胺作为新型抗真菌模型的潜力。
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