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dl-氨基谷氨酰胺与β-环糊精包合物的合成、表征及其在生物系统中的创新应用:计算与实验研究

Synthesis and Characterization of an Inclusion Complex of dl-Aminoglutethimide with β-Cyclodextrin and Its Innovative Application in a Biological System: Computational and Experimental Investigations.

作者信息

Ray Samapika, Roy Niloy, Barman Biraj Kumar, Karmakar Paramita, Bomzan Pranish, Rajbanshi Biplab, Dakua Vikas Kumar, Dutta Ankita, Kumar Anoop, Roy Mahendra Nath

机构信息

University of North Bengal, Department of Chemistry, Raja Rammohanpur, Darjeeling, West Bengal, India 734013.

Parimal Mitra Smriti Mahavidyalaya, Department of Chemistry, Malbazar Jalpaiguri, West Bengal, India 735221.

出版信息

ACS Omega. 2022 Mar 28;7(13):11208-11216. doi: 10.1021/acsomega.2c00011. eCollection 2022 Apr 5.

Abstract

Our present study intended to investigate the encapsulation of DL-AGT within the lipophilic cavity of a β-CD molecule. The consequential inclusion system was characterized by UV-visible spectroscopy and H NMR, PXRD, SEM, and FT-IR studies. Molecular docking was performed for the inclusion complex to discover the most proper orientation, and it was seen that the drug DL-AGT fits into the cavity of β-CD in a 1:1 ratio, which was also confirmed from the Job plot. Furthermore, a comparison was done on the basis of cell viability between the drug and its inclusion complex.

摘要

我们目前的研究旨在研究将DL-AGT包封在β-环糊精分子的亲脂性腔内。通过紫外可见光谱、核磁共振氢谱、粉末X射线衍射、扫描电子显微镜和傅里叶变换红外光谱研究对所得包合物体系进行了表征。对包合物进行了分子对接以发现最合适的取向,结果发现药物DL-AGT以1:1的比例嵌入β-环糊精的腔内,这也通过Job曲线得到了证实。此外,还对药物及其包合物之间的细胞活力进行了比较。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36b8/8992260/e80d6e2657b0/ao2c00011_0010.jpg

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