In this paper, a new series of some [3,5-di(4’,5’-diphenyl-2’- substituted)-1H-imidazol-1-yl)]-1H-1,2,4-triazole derivatives (C1-C9) were efficiently synthesized by a one-pot three component reaction via a coupling of benzil, aldehydes and 3,5-diamino-1,2,4-triazole and using ceric ammonium nitrate as a catalyst. The structures of the newly compounds were investigated by IR, 1H NMR, 13C NMR and UV-visible spectroscopy. The in vitro antibacterial and antifungal activities showed that the C9 is the most active compound. The C9 docking study revealed the best mode of binding in the active site of the cytochrome P450 lanosterol 14α-demethylase. All the synthesized compounds were predicted as non-carcinogens and demonstrated acceptable pharmacokinetic profile in blood brain barrier (BBB) and human intestinal absorption (HIA).

中文翻译：

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一些新型[3,5-二(4',5'-二苯基-2'-取代)-1的设计与一锅法合成

在本文中，一些[3,5-二(4',5'-二苯基-2'-取代) -1H-咪唑-1-基)]- 1H- 1,2,4-的新系列三唑衍生物（C1-C9）是通过苄基、醛和3,5-二氨基-1,2,4-三唑偶联并使用硝酸铈铵作为催化剂，通过一锅三组分反应有效合成的。新化合物的结构通过IR、1 H NMR、13 C NMR和UV-可见光谱进行了研究。在体外抗菌和抗真菌活性表明，C9 是活性最强的化合物。C9 对接研究揭示了细胞色素 P450 羊毛甾醇 14α-脱甲基酶活性位点的最佳结合模式。所有合成的化合物均被预测为非致癌物，并在血脑屏障 (BBB) 和人体肠道吸收 (HIA) 中显示出可接受的药代动力学特征。