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通过微波和传统合成方法对一些含氮杂环与1,2,4-三唑侧链新型生物类似物的计算机模拟及牛血清白蛋白结合研究

In silico and BSA binding study of some new biological analogs of 1,2,4-triazolependant with azinane through microwave and conventional synthesis.

作者信息

Virk Naeem Akhtar, Rehman Azizur, Abbasi Muhammad Athar, Siddiqui Sabahat Zahra, Ashraf Asma, Lateef Mehreen, Javed Hira, Iqbal Javed, Khalid Hira, Khan Shafiullah

机构信息

Department of Chemistry, Government College University, Lahore, Pakistan.

Department of Zoology, Government College University Faisalabad, Pakistan.

出版信息

Pak J Pharm Sci. 2018 Nov;31(6 (Supplementary):2645-2654.

Abstract

Microwave and conventional techniques were employed to synthesize a novel array of compounds 7a-g with 1,2,4-triazole and piperidine rings having great biological importance. The microwave assisted method has a better operational scope with respect to time and yield comparative to the conventional method. 1H-NMR, 13C-NMR and IR techniques were employed to justify the structure of synthesized compounds. The antioxidant, butyrylcholinesterase inhibition and urease inhibition potential of every synthesized compound was evaluated. Every member of the synthesized series was found potent against mentioned activities. Compound 7g was the most active anti-urease agent having IC50 (μM) value 16.5±0.09 even better than the thiourea with an IC50(μM) value of 24.3±0.24. The better urease inhibition potential of 7g was also elaborated and explained by docking and bovine serum albumin (BSA) binding studies.

摘要

采用微波和传统技术合成了一系列具有重要生物学意义的含1,2,4-三唑和哌啶环的新型化合物7a-g。与传统方法相比,微波辅助方法在时间和产率方面具有更好的操作范围。采用1H-NMR、13C-NMR和IR技术对合成化合物的结构进行了确证。评估了每种合成化合物的抗氧化、丁酰胆碱酯酶抑制和脲酶抑制潜力。发现合成系列的每个成员对上述活性均具有活性。化合物7g是最具活性的抗脲酶剂,IC50(μM)值为16.5±0.09,甚至优于IC50(μM)值为24.3±0.24的硫脲。通过对接和牛血清白蛋白(BSA)结合研究也阐述并解释了7g更好的脲酶抑制潜力。

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