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甲芬那酸与α-环糊精的主客体包合物在生物系统中的创新应用研究。

Investigation of Host-Guest Inclusion Complex of Mephenesin with α-Cyclodextrin for Innovative Application in Biological System.

作者信息

Debnath Subhajit, Ghosh Biswajit, Mondal Modhusudan, Roy Niloy, Mallick Kangkan, Maji Joydeb, Sahana Sudip, Sinha Anuradha, Dey Sangita, Kumar Anoop, Roy Mahendra Nath

机构信息

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

Department of Botany, Siliguri College, Siliguri, Darjeeling, West Bengal 734001, India.

出版信息

ACS Omega. 2024 Aug 15;9(34):36066-36075. doi: 10.1021/acsomega.3c08185. eCollection 2024 Aug 27.

Abstract

The goal of this study was to use coevaporation to look into how polyether compounds like mephenesin (MEP) can be encapsulated into the host molecule α-cyclodextrin's nanohydrophobic cage. Fourier transform infrared spectroscopy (FT-IR) investigations, powder X-ray diffraction (PXRD), and H NMR were among the spectroscopic techniques used to describe the inclusion complex. Additionally, Job's plot has been utilized to illustrate how MEP is encapsulated with α-cyclodextrin (α-CD) at a 1:1 molar ratio. The thermal stability of MEP increased after encapsulation according to thermogravimetric analysis (TGA) and differential thermal analysis (DTA) experiments. Mephenesin fits into the cavity of α-cyclodextrin in a 1:1 ratio, as observed by molecular docking for the inclusion complex to find the most appropriate orientation. This observation is further supported by the Job plot. Furthermore, a comparison was carried out based on a cell viability study between the medication and its inclusion complex.

摘要

本研究的目的是利用共蒸发法来探究像美芬新(MEP)这样的聚醚化合物如何被包裹进主体分子α-环糊精的纳米疏水笼中。用于描述包合物的光谱技术包括傅里叶变换红外光谱(FT-IR)研究、粉末X射线衍射(PXRD)和核磁共振氢谱(¹H NMR)。此外,还利用了乔布曲线来阐明MEP与α-环糊精(α-CD)以1:1摩尔比进行包裹的情况。根据热重分析(TGA)和差示热分析(DTA)实验,MEP在被包裹后热稳定性有所提高。通过分子对接来寻找包合物最合适的取向,结果表明美芬新以1:1的比例嵌入α-环糊精的空腔中。乔布曲线进一步支持了这一观察结果。此外,还基于药物及其包合物的细胞活力研究进行了比较。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad5e/11359629/53f2f1d3955b/ao3c08185_0010.jpg

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