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Molecular docking and biological assessment of substituted phthalazin‐1(2H)‐one derivatives
Journal of Heterocyclic Chemistry ( IF 2.0 ) Pub Date : 2020-02-12 , DOI: 10.1002/jhet.3913
Naglaa F. H. Mahmoud 1 , Galal A. Elsayed 1
Affiliation  

2, 4‐Disubstituted phthalazin‐1(2H)‐one derivatives were synthesized via nucleophilic attack of N‐2 of phthalazin‐1(2H)‐one derivatives on different alkyl halides. In addition, reactive phthalazinone acetohydrazide derivative was utilized as a scaffold to synthesize different heterocyclic systems. The assigned structures for all the newly synthesized derivatives were confirmed on the basis of elemental analyses and spectral data. Mechanistic illustrations for some of the synthesized compounds were also discussed. The synthesized compounds were evaluated for in vitro antimicrobial and antitumor activity. Most of the tested compounds exhibited significant potency as antimicrobial and antitumor agents. Moreover, MOE 2014.09 software was utilized to carry out computational studies to support the biological activity results.

中文翻译:

取代的酞菁-1(2H)-1衍生物的分子对接和生物学评估

2,通过以下方法合成了4-双取代的酞菁-1(2H)-1衍生物酞菁-1(2H)-one衍生物N-2对不同烷基卤的亲核攻击 另外,反应性酞嗪酮乙酰肼衍生物被用作支架来合成不同的杂环系统。在元素分析和光谱数据的基础上,确认了所有新合成衍生物的指定结构。还讨论了一些合成化合物的机理说明。评价合成的化合物的体外抗微生物和抗肿瘤活性。大多数测试化合物显示出显着的抗微生物和抗肿瘤作用。此外,MOE 2014.09软件用于进行计算研究以支持生物活性结果。
更新日期:2020-02-13
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