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Synthesis of novel heterocyclic compounds containing pyrimidine nucleus using the Biginelli reaction: Antiproliferative activity and docking studies
Journal of Heterocyclic Chemistry ( IF 2.0 ) Pub Date : 2020-04-02 , DOI: 10.1002/jhet.3978
Sevtap Çağlar Yavuz 1, 2 , Senem Akkoç 3 , Burçin Türkmenoğlu 4 , Emin Sarıpınar 1
Affiliation  

In a single reaction step, pyrimidine derivatives (4a‐p ) were synthesized from the triple reaction of aromatic aldehydes (1) , ethyl cyanoacetate (2) , and some guanyl hydrazone derivatives (3a‐n) . These compounds were tested as in vitro against two types of cancerous cell lines, namely, a human colon cancerous cell line (DLD‐1) and a human breast cancerous cell line (MDA‐MB‐231). According to the obtained results, nearly all the compounds have cytotoxic activity in the tested cell lines. Especially, the compounds 4j , 4k , and 4n had a significant effect against DLD‐1. Furthermore, compounds 4g , 4m , and 4o exhibited lower IC50 values compared to other synthesized compounds against MDA‐MB‐231. We hope that these compounds can be improved as anticancer agents in the future. Molecular docking was performed according to both topoisomerase I and N ‐acetyltransferase 1 proteins to examine theoretically the binding mode and site of pyrimidine compounds having the best activity.

中文翻译:

利用Biginelli反应合成含有嘧啶核的新型杂环化合物:抗增殖活性和对接研究

在一个反应​​步骤中,由芳香醛(1),氰基乙酸乙酯(2)和一些some衍生物(3a-n​​)的三重反应合成了嘧啶衍生物(4a-p 。这些化合物在体外针对两种类型的癌细胞系进行了测试,分别是人结肠癌细胞系(DLD-1)和人乳腺癌细胞系(MDA-MB-231)。根据获得的结果,几乎所有化合物在测试的细胞系中均具有细胞毒活性。尤其是化合物4j4k4n对DLD-1具有明显的影响。此外,化合物4g4m,和4o相比,针对MDA-MB-231的其他合成化合物,IC 50值更低。我们希望这些化合物将来可以作为抗癌药得到改进。根据拓扑异构酶I和N-乙酰转移酶1蛋白进行分子对接,从理论上检查具有最佳活性的嘧啶化合物的结合模式和位点。
更新日期:2020-04-02
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