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一些 1-(5-(2-氟-5-(三氟甲氧基)苯基)-1,2,4-恶二唑-3-基)哌嗪衍生物的设计、合成及分子对接研究作为潜在的抗炎剂。

Design, synthesis and molecular docking studies of some 1-(5-(2-fluoro-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)piperazine derivatives as potential anti-inflammatory agents.

机构信息

Research and Development Centre, Bharathiar University, Coimbatore, Tamilnadu, 641046, India.

Department of Chemistry, Nagarjuna College of Engineering and Technology, Devanahalli, Bengaluru, Karnataka, 562164, India.

出版信息

Mol Divers. 2022 Oct;26(5):2893-2905. doi: 10.1007/s11030-021-10340-1. Epub 2021 Nov 24.

DOI:10.1007/s11030-021-10340-1
PMID:34817768
Abstract

We herein report the facile synthesis of a series of 3,5-substituted-1,2,4-oxadiazole derivatives in good to excellent yields. The anti-inflammatory potential of the newly synthesized compounds was evaluated by anti-denaturation assay using diclofenac sodium as the reference standard. Some of the compounds exhibited profound activity profile when compared to the standard drug. The molecular docking and SAR studies were carried out at the later stage for gaining more insights about the promising activity profile of the synthesized molecules.

摘要

我们在此报告了一系列 3,5-取代-1,2,4-噁二唑衍生物的简便合成方法,产率良好至优秀。新合成化合物的抗炎潜力通过使用双氯芬酸钠作为参考标准的抗变性测定来评估。与标准药物相比,一些化合物表现出了显著的活性特征。在后期进行了分子对接和 SAR 研究,以更深入地了解合成分子的有前途的活性特征。

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