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合成、抗真菌活性及一些新 1,2,4-三唑类似物的对接研究。

Synthesis, antifungal activity, and docking study of some new 1,2,4-triazole analogs.

机构信息

Department of Chemical Technology, Dr Babasaheb Ambedkar Marathwada, University, Aurangabad-431004 (MS), India.

出版信息

Chem Biol Drug Des. 2011 Nov;78(5):800-9. doi: 10.1111/j.1747-0285.2011.01178.x. Epub 2011 Sep 26.

Abstract

Synthesis of new series of 1,2,4-triazole with 1,2,3-triazole and piperidine ring using ZrOCl(2) ·8H(2) O as a catalyst in ethanol has been described. The yields obtained are in the range of 80-85%. All the synthesized compounds (3a-3o) are novel and were evaluated for their in vitro antifungal activities using standard agar method. Docking study of the newly synthesized compounds was performed, and results showed that all new compounds have similar binding mode in the active site of fungal enzyme P450 cytochrome lanosterol 14α-demethylase.

摘要

采用 ZrOCl(2)·8H(2)O 作为催化剂,在乙醇中合成了一系列新型的 1,2,4-三唑和 1,2,3-三唑并哌啶环化合物。产率范围在 80-85%之间。所有合成的化合物(3a-3o)均为新化合物,并采用标准琼脂法评估了它们的体外抗真菌活性。对新合成的化合物进行了对接研究,结果表明,所有新化合物在真菌酶 P450 细胞色素羊毛甾醇 14α-脱甲基酶的活性部位均具有相似的结合模式。

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