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Cytotoxicity, Docking Study of New Fluorinated Fused Pyrimidine Scaffold: Thermal and Microwave Irradiation Synthesis
Medicinal Chemistry ( IF 1.9 ) Pub Date : 2021-05-31 , DOI: 10.2174/1573406416666191216120301 Alaa M A Alnaja 1 , Thoraya A Farghaly 1 , Heba S A El-Zahabi 2 , Mohamed R Shaaban 3
中文翻译：
新型氟化聚嘧啶支架的细胞毒性、对接研究：热和微波辐照合成
更新日期：2021-05-24
Medicinal Chemistry ( IF 1.9 ) Pub Date : 2021-05-31 , DOI: 10.2174/1573406416666191216120301 Alaa M A Alnaja 1 , Thoraya A Farghaly 1 , Heba S A El-Zahabi 2 , Mohamed R Shaaban 3
Affiliation
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Background: Azolopyrimidines are imposed on the arena of drugs treated for cancer. The urgent need to discover new selective anticancer agents, paved the way to explore the antitumor significance of such fused systems. From the synthetic point of view, Microwave facilitated technique for synthesis is very strongly associated with green method in chemistry field.
Aim: Our aim is to synthesize bioactive compounds using docking simulation run by MOE program to explore the binding mode of the most active enzyme inhibitor among the target compounds. Methods: In addition to the use of conventional heating, the MARS system of CEM utilized for Microwave irradiation that is equipped with a multi-mode platform with a magnetic stirring plate and a rotor that allows the parallel processing of many vessels per batch. All the synthesized compounds were tested for their anticancer activity against hepatic cancer (HepG-2), breast cancer (MCF-7) and colon cancer (HCT-116). Screening against the cancer cell lines was performed, using doxorubicin as a reference drug. Docking studies were conducted using MOE software.中文翻译：
新型氟化聚嘧啶支架的细胞毒性、对接研究：热和微波辐照合成
背景：唑并嘧啶被强加于治疗癌症的药物领域。迫切需要发现新的选择性抗癌剂，为探索这种融合系统的抗肿瘤意义铺平了道路。从合成的角度来看，微波辅助合成技术与化学领域的绿色方法密切相关。
目的：我们的目的是通过MOE程序运行的对接模拟来合成生物活性化合物，以探索目标化合物中活性最强的酶抑制剂的结合模式。 方法：除了使用常规加热外，CEM 的 MARS 系统用于微波辐射，该系统配备多模式平台，带有磁力搅拌板和转子，允许每批次并行处理多个容器。测试了所有合成的化合物对肝癌（HepG-2）、乳腺癌（MCF-7）和结肠癌（HCT-116）的抗癌活性。使用多柔比星作为参考药物进行了针对癌细胞系的筛选。对接研究是使用 MOE 软件进行的。
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