The Study of Release Mechanisms for Drug in Cyclodextrin Metal-Organic Frameworks

doi:10.1021/acsomega.9b01634

	The Study of Release Mechanisms for Drug in Cyclodextrin Metal-Organic Frameworks
	Liu, Congbiao 1,2; Guo, Tao 3; Li, Weimin 1,2; Jiang, Zhiteng 1,2; Chen, Min 4; Xu, Nongzhang 4; Fang, Zhongjian 1,2; Wang, Cuihong 4
刊名	ACS OMEGA
	2019-09-10
卷号	4 期号:11 页码:14490-14496
ISSN号	2470-1343
DOI	10.1021/acsomega.9b01634
通讯作者	Liu, Congbiao(liucb_sumhs@163.com)
英文摘要	gamma-Cyclodextrin metal-organic frameworks (gamma CDMOF) recently emerged as biofriendly, highly porous, and crystalline materials with potential applications in drug delivery. However, little is known about their drug entrapment and release characteristics, which are key parameters in the design of drug carriers. The macroscopic properties of a material are determined by its microstructure. Thus, the characteristics of the constitutive units of the cubic crystalline gamma CDMOF determine their drug loading and release behaviors. In this study, the release profile of prednisolone (PNS) form gamma CDMOF was predicted, and the mechanism was analyzed based on the gamma CDMOF molecular structure. For the first time, experimental, molecular simulation, and mathematical modeling methods were combined to gain insights into the drug distribution in cubic porous crystals of gamma CDMOF as well as on drug release kinetics. The predicted release profile was in good agreement with the experimental results, showing that the modeling method was reliable. The methodology developed here could provide a reference for further investigations of drug penetration and release in supramolecular systems.
WOS关键词	MOLECULAR-DYNAMICS ; FREE-ENERGY ; PREDICTION
WOS研究方向	Chemistry
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000486396500015
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/288515]
专题	中国科学院上海药物研究所
通讯作者	Liu, Congbiao
作者单位	1.Shanghai Univ Med & Hlth Sci, Coll Med Technol, Shanghai 201318, Peoples R China 2.Shanghai Univ Med & Hlth Sci, Hlth Sch, Shanghai 200237, Peoples R China 3.Chinese Acad Sci, Ctr Drug Delivery Syst, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China 4.Shanghai Univ Med & Hlth Sci, Zhoupu Hosp, Shanghai 201318, Peoples R China
推荐引用方式 GB/T 7714	Liu, Congbiao,Guo, Tao,Li, Weimin,et al. The Study of Release Mechanisms for Drug in Cyclodextrin Metal-Organic Frameworks[J]. ACS OMEGA,2019,4(11):14490-14496.
APA	Liu, Congbiao.,Guo, Tao.,Li, Weimin.,Jiang, Zhiteng.,Chen, Min.,...&Wang, Cuihong.(2019).The Study of Release Mechanisms for Drug in Cyclodextrin Metal-Organic Frameworks.ACS OMEGA,4(11),14490-14496.
MLA	Liu, Congbiao,et al."The Study of Release Mechanisms for Drug in Cyclodextrin Metal-Organic Frameworks".ACS OMEGA 4.11(2019):14490-14496.