相关实验视频

Updated: Jan 7, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

通过结合模式引导的异环替换β-基酸盐的合理设计

Cong Zhou¹, Jingwen Ge¹, Zhong Li¹

¹Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China.

Journal of agricultural and food chemistry

|December 26, 2025

概括

新的β-基尼特酸通过抑制酸脱酶 (SDH) 对蜘蛛产生强烈活性. 化合物A23提供了提高效率和降低鱼类毒性,为害虫控制提供了一个有前途的候选人.

科学领域:

农业化学农业化学
昆虫学昆虫学是一门学科.
毒理学毒理学毒理学

背景情况:

β-Ketonitrile 酸盐对于控制植物的虫至关重要,因为它通过向糖酸脱酶 (SDH) 来控制植物虫.
开发新的衍生品对于有效的虫管理和克服耐药性至关重要.
SDH 抑制剂 (SDHI) 是一类具有广泛应用的农业化学品.

研究的目的:

合理设计使用结合模式相似性为基础的异环替代策略的新型β-基尼酸.
为了识别具有更好的安全性,具有更强大的杀性化合物.
为了研究设计化合物的作用机制.

主要方法:

应用了基于结构的药物设计方法,包括异环替代.
合成的烯酸碳和烯酸衍生物含有SDHI杀菌成分.
对 *Tetranychus cinnabarinus* 的各种发育阶段进行评估,并评估了鱼类的急性毒性.

主要成果:

最优的化合物A23 (3-trifluoromethyl-1*H*-methylpyrazole部分),证明了对*Tetranychus cinnabarinus**的成年,和卵阶段的高疗效.
与cyenopyrafen相比,A23化合物呈现出明显较低的急性鱼类毒性 (减少3.2倍).
机制研究证实了通过保守的子-π相互作用和H键的SDH抑制.

结论:

设计的β-基酸,特别是A23,表现出卓越的酸活性和有利的生态安全概况.
这些发现为开发新的虫杀虫剂提供了潜在的候选者,并为设计其他SDHI农业化学品提供了洞察力.
该研究强调了新型农药开发的合理设计策略的成功.

关键词:

计算建模计算建模异环替换异环的替换方法作用的作用方式.结构结构活动关系关系这是一种β-基尼烯酸乙化物.

更多相关视频

Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles

Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles

Published on: August 22, 2018

Facile Preparation of 2Z,4E-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate

Facile Preparation of 2Z,4E-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate

Published on: June 21, 2017

相关概念视频

Alkylation of β-Ketoester Enolates: Acetoacetic Ester Synthesis

Alkylation of β-Ketoester Enolates: Acetoacetic Ester Synthesis

Acetoacetic ester synthesis is a method to obtain ketones from alkyl halides and β-keto esters. The reaction occurs in the presence of an alkoxide base that abstracts the acidic proton of the β-keto esters. The step results in an enolate ion which is doubly stabilized. The enolate then reacts with an alkyl halide via the SN2 process to produce an alkylated ester intermediate with a new C–C bond. The hydrolysis of the intermediate, followed by acidification, results in an...

Nucleophilic Acyl Substitution of Carboxylic Acid Derivatives

Nucleophilic Acyl Substitution of Carboxylic Acid Derivatives

Nucleophilic acyl substitution is an important class of substitution reactions involving a nucleophile and an acyl compound, such as carboxylic acids and their derivatives. In these reactions, the leaving group attached to the acyl group is substituted by a nucleophile. The general mechanism proceeds via two steps.

Amines to Amides: Acylation of Amines

Amines to Amides: Acylation of Amines

Various carboxylic acid derivatives (such as acid chlorides, esters, and anhydrides) can be used for the acylation of amines to yield amides. The reaction requires two equivalents of amines. The first amine molecule functions as a nucleophile and attacks the carbonyl carbon to produce a tetrahedral intermediate. This is followed by the loss of the leaving group and restoration of the C=O bond.
Next, the second equivalent of amine serves as a Brønsted base and deprotonates the quaternary...

Acetals and Thioacetals as Protecting Groups for Aldehydes and Ketones

Acetals and Thioacetals as Protecting Groups for Aldehydes and Ketones

Acetals are formed by reacting two equivalents of alcohol with carbonyl compounds like aldehydes or ketones. Acetals are unaffected by bases, nucleophiles, oxidizing agents, and reducing agents. They serve as protecting groups for aldehydes and ketones. Acetals can be easily formed and also easily removed via mild acid hydrolysis.
In the presence of multiple functional groups, when selective reduction of one group over the other is desired, groups like aldehydes and ketones that form acetals...

Nitriles to Carboxylic Acids: Hydrolysis

Nitriles to Carboxylic Acids: Hydrolysis

Nitriles undergo acid-catalyzed hydrolysis or base-catalyzed hydrolysis to form a carboxylic acid. These reactions proceed via an amide intermediate.

meta-Directing Deactivators: –NO2, –CN, –CHO, –&NoBreak;CO2R, –COR, –CO2H

meta-Directing Deactivators: –NO₂, –CN, –CHO, –⁠CO₂R, –COR, –CO₂H

All meta-directing substituents are deactivating groups. These substituents withdraw electrons from the aromatic ring, making the ring less reactive toward electrophilic substitution. For example, the nitration of nitrobenzene is 100,000 times slower than that of benzene because of the deactivating effect of the nitro group. The first step in an electrophilic aromatic substitution is the addition of an electrophile to form a resonance-stabilized carbocation. The energy diagrams for...