设计,合成和除草剂活动的替代3 - - 氨酸-2-) 胺基衍生物的设计,合成和除草剂活动
Zhongyin Chen1, Hui Cai1, Xiao Zhang1
1National Key Laboratory of Green Pesticide, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, People's Republic of China.
Journal of agricultural and food chemistry
|January 25, 2024
概括
研究人员开发了具有强烈除草剂作用和作物安全性的新型原氨基酸氧化酶 (PPO) 抑制剂. 化合物8d表现出优异的杂草控制和安全性,显示出作为新的除草剂候选者的潜力.
科学领域:
- 农业化学 农业化学
- 有机化学 有机化学
- 植物科学 植物科学
背景情况:
- 新型除草剂的开发对于可持续农业和有效的杂草管理至关重要.
- 原氨基酸氧化酶 (PPO) 是叶绿素生物合成中的关键酶,使其成为除草剂的验证标.
研究的目的:
- 设计和合成新型替代的3-(pyridin-2-yl) phenylamino衍生物作为潜在的原氨基酸氧化酶 (PPO) 抑制剂.
- 评估这些新化学实体的除草剂活性和作物安全性.
- 阐明对PPO最有前途的化合物的抑制机制.
主要方法:
- 结构拼接策略被用来设计和合成三系列的氨基酸,尿素和硫尿素衍生物.
- 评估了出现后的除草剂活性,对宽叶和单片杂草进行了评估.
- 进行了酶抑制测定,分子对接,分子动力学 (MD) 模拟和降解研究.
主要成果:
- 合成和评估了33种新型化合物的除草剂活性.
- 化合物6a,7b和8d与商业除草剂acifluorfen相比,显示出更高的后出现除草剂活性.
- 化合物8d在37.5-150克/公的剂量范围内表现出卓越的除草剂有效性和作物安全性,作为典型的PPO抑制剂.
结论:
- 设计的替代3-(pyridin-2-yl) phenylamino衍生物是有效的PPO抑制剂,具有显著的除草剂潜力.
- 化合物8d显示出开发成新型除草剂的有希望的特性,证明了有效性和作物安全的良好平衡.
- 分子建模研究提供了关于化合物8d与尼古提亚烟草PPO (NtPPO) 的结合相互作用的见解,支持其作用机制.
相关概念视频
Adrenergic Agonists: Chemistry and Structure-Activity Relationship
3.0K
Adrenergic agonists' structure-activity relationship (SAR) determines their selectivity and efficacy. These agonists comprise a phenylethylamine moiety with an aromatic ring and an ethylamine side chain.
Aromatic ring substitutions: Substituting the aromatic ring with –OH groups at positions 3 and 4 yields catecholamines (e.g., epinephrine), which have a high affinity for adrenoceptors. Hydrogen bonding between –OH groups and receptors enhances adrenergic activity.
Separation of...
Aromatic ring substitutions: Substituting the aromatic ring with –OH groups at positions 3 and 4 yields catecholamines (e.g., epinephrine), which have a high affinity for adrenoceptors. Hydrogen bonding between –OH groups and receptors enhances adrenergic activity.
Separation of...
3.0K
Nucleophilic Aromatic Substitution of Aryldiazonium Salts: Aromatic SN1
2.1K
Treating arylamines with nitrous acid gives aryldiazonium salts that are effective substrates in nucleophilic aromatic substitution reactions. The diazonio group in these salts can be easily displaced by different nucleophiles, yielding a wide variety of substituted benzenes. The leaving group departs as nitrogen gas, and this easy elimination is the driving force for the substitution reaction.
In the Sandmeyer reaction, for example, the diazonio group is replaced by a chloro, bromo,...
In the Sandmeyer reaction, for example, the diazonio group is replaced by a chloro, bromo,...
2.1K
Diazonium Group Substitution: –OH and –H
2.8K
Nitrous acid, a weak acid, is prepared in situ via the reaction of sodium nitrite with a strong acid under cold conditions. This nitrous acid prepared in situ reacts with primary arylamines to form arenediazonium salts. Such reactions are known as diazotization reactions. As shown in Figure 1, the formation of arenediazonium salts begins with the decomposition of nitrous acid in an acidic solution to give nitrosonium ions.
2.8K
Nomenclature of Aryl and Heterocyclic Amines
2.4K
The simplest aromatic amine is phenylamine, which contains an –NH2 functionality directly attached to an aromatic ring. The name aniline is designated for this skeleton. As shown in Figure 1, the common names of the functionalized anilines involve prefixes ortho-, meta-, and para- to indicate the substitution position. Different functionalized aniline derivatives also have notable trivial names.
2.4K
Diazonium Group Substitution with Halogens and Cyanide: Sandmeyer and Schiemann Reactions
1.9K
Arenediazonium substitution reactions occur when the diazonium group is substituted by various functional groups such as halides, hydroxyl, nitrile, etc. For instance, arenediazonium salts react with copper(I) salts of chloride, bromide, or cyanide to form corresponding aryl chlorides, bromides, and nitriles. These reactions are named Sandmeyer reactions. Although the mechanism of this reaction is complicated, as illustrated in Figure 1, they are believed to progress via an aryl copper...
1.9K
Structure-Activity Relationships and Drug Design
721
Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
721


![Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F60786.jpg&w=3840&q=50)