合成,表征,生物和in-silico评价的甲衍生物
Neetu Singh1, Surender Singh Yadav2, Sanjiv Kumar3
1Department of Botany, Maharshi Dayanand University, Rohtak, Haryana, 124001, India.
BMC chemistry
|October 7, 2025
概括
合成的甲衍生物显示出显著的抗微生物,抗氧化剂和细胞毒性活动. 化合物NS-7B展示了最有前途的药理学潜力,表明它适合进一步的药物开发研究.
科学领域:
- 药理学 药理学是指药理学的学科.
- 药用化学 医学化学
- 自然产品 自然产品
背景情况:
- (Apiaceae家族) 具有不同的和药理学属性.
- 甲是主要的植物成分,负责C. cyminum的健康益处.
- 这项研究调查了甲衍生物的强化药理潜力,而不是母化合物.
研究的目的:
- 为了合成和表征新的甲衍生物.
- 评估这些衍生物的抗菌,抗氧化和细胞毒性活动.
- 为了比较合成衍生物与精油 (E.O.B.) 的疗效.
主要方法:
- 甲衍生物的合成和表征 (NS-1B至NS-10B).
- 精油 (E.O.B) 的提取和GC-MS特征.
- 对抗微生物 (抗菌,抗真菌),抗氧化剂 (DPPH,ABTS) 和细胞毒性活动的评估.
- 分子对接研究以确定结合亲和力.
主要成果:
- 化合物NS-7B表现出显著的抗菌 (ZI=14.0±0.08毫米,MIC=6.25毫克/毫升) 和抗真菌 (ZI=12.4毫米,MIC=12.5毫克/毫升) 活动,与EOB相当.
- 化合物NS-1B和NS-7B显示出高的抗氧化能力 (RSA>82%).
- NS-1B和NS-7B显示出强大的细胞毒性 (IC50值分别为20.6和26.1微克/毫升).
- NS-7B获得了最高的对接得分 (-8.372),表明了有利的相互作用.
结论:
- 甲衍生物具有显著的药理活性.
- 化合物NS-7B成为最有前途的衍生品,具有广泛的疗效.
- NS-7B需要进一步调查潜在的药物开发应用.
相关概念视频
Structure of Conjugated Dienes
6.8K
Introduction
Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the double...
Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the double...
6.8K
Benzene to Phenol via Cumene: Hock Process
4.1K
The synthesis of phenol from benzene via cumene and cumene hydroperoxide is called the Hock process. First, a Friedel–Crafts alkylation reaction of benzene with propene gives cumene. Then cumene forms cumene hydroperoxide via a radical chain reaction. In the chain initiation step, the benzylic hydrogen is abstracted to give a benzylic radical. In the chain propagation step, the benzylic radical reacts with an oxygen diradical to form a cumene hydroperoxide radical. The cumene...
4.1K
Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview
3.8K
Cyanohydrins are compounds that contain –CN and –OH groups on the same carbon atom. They are formed by the nucleophilic addition of the cyanide ions to the carbonyl group. Cyanide ions are highly basic and nucleophilic and can be generated from HCN under aqueous conditions. However, since HCN is a weak acid, the number of cyanide ions generated is very small. Hence, a small amount of base or KCN/NaCN is added to HCN to increase the concentration of the cyanide ions in the reaction...
3.8K
Ketones with Nonenolizable Aromatic Aldehydes: Claisen–Schmidt Condensation
4.4K
Benzaldehyde, like formaldehyde, lacks an α hydrogen and cannot enolize to form an enolate. Hence, the reaction of benzaldehyde with a ketone in the presence of an aqueous base forms a single crossed product. This reaction is referred to as Claisen–Schmidt condensation.
As the self-condensation of ketones is generally not favored in basic conditions, the self-condensed products do not form in the reaction between ketones and benzaldehyde. The general reaction of Claisen–Schmidt...
As the self-condensation of ketones is generally not favored in basic conditions, the self-condensed products do not form in the reaction between ketones and benzaldehyde. The general reaction of Claisen–Schmidt...
4.4K
C–C Bond Formation: Aldol Condensation Overview
16.1K
Aldol condensation is an important route in synthetic organic chemistry used to generate a new carbon–carbon bond under basic or acidic conditions. The aldol condensation reaction presented in Figure 1 constitutes an aldol addition reaction followed by the dehydration process.
16.1K
Aromatic Compounds: Overview
13.5K
In general, the term ‘aromatic’ indicates a pleasant smell or fragrance from fresh flowers, freshly prepared coffee, etc. In the early history of organic chemistry, many benzene derivatives were isolated from the pleasant odor oils of the plants. For example, vanillin was isolated from the oil of vanilla, methyl salicylate from the oil of wintergreen, and cinnamaldehyde from the oil of cinnamon. They all had a pleasant odor; hence the name aromatic was given.
In 1825, Faraday isolated...
In 1825, Faraday isolated...
13.5K


