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通过分子对接以及对一些新型环状酰亚胺和喹唑啉-2,5-二酮的体外研究开发新型抗菌药物的有效方法

Powerful Approach for New Drugs as Antibacterial Agents via Molecular Docking and In Vitro Studies of Some New Cyclic Imides and Quinazoline-2,5-diones.

作者信息

Nasser Binjawhar Dalal, Abu Ali Ola A, Alqahtani Arwa Sultan, Fayad Eman, Abo-Bakr Ahmed M, Mekhael Antonous M, Sadek Fayza M

机构信息

Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.

Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.

出版信息

ACS Omega. 2024 Apr 10;9(16):18566-18575. doi: 10.1021/acsomega.4c01176. eCollection 2024 Apr 23.

Abstract

We generated novel elven 1,2,3,6-tetrahydrophthalimides and tetrahydroquinazoline derivatives from 1,2,3,6-tetrahydrophthalic anhydride () in response to our interest in using the anhydrides to produce heterocyclic nitrogen compounds. The elemental and spectral analyses of the produced compounds validated the recommended configurations and (Molecular Operating Environment) computations were used to perform their in silico analysis. The synthesized compounds have been analyzed and put through various experiments, including in vitro and in silico methods to assess their biological activity against Penicillin-Binding Protein 3 () and Penicillin-Binding Protein 2 (), among these compounds showing promising data as antibacterial drugs.

摘要

鉴于我们对利用酸酐制备杂环氮化合物感兴趣,我们从1,2,3,6 - 四氢邻苯二甲酸酐合成了新型的11种1,2,3,6 - 四氢邻苯二甲酰亚胺和四氢喹唑啉衍生物。所制备化合物的元素分析和光谱分析验证了推荐的结构,并使用(分子操作环境)计算对其进行了计算机模拟分析。已对合成的化合物进行了分析并开展了各种实验,包括体外和计算机模拟方法,以评估它们对青霉素结合蛋白3()和青霉素结合蛋白2()的生物活性,在这些化合物中显示出作为抗菌药物的有前景的数据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc0a/11044208/f9b1edc845af/ao4c01176_0006.jpg

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