Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 分子影像中心（筹）

	Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals
	Chen Long 1; Wang Liuyi 2; Yin Xianzhen 3; Wang Jincan 2; Liu Ruihao 3; Wang Dan 1; Li Haiyan4 ; Zhu Weifeng 1; Zhang Jiwen1
刊名	Acta Pharmaceutica Sinica
	2013
卷号	48 期号:9 页码:1459-1463
关键词	clopidogrel bisulfate three dimensional morphology of crystal polymorph SR-muCT multilayer perceptron
ISSN号	0513-4870
其他题名	基于药物晶体的立体形态参数辨识硫酸氢氯吡格雷的不同晶型
文献子类	Article
英文摘要	The crystal form of solid substance had intrinsic correlation with its three dimensional crystal morphology. Based on the characterization of the three dimensional crystal morphology of clopidogrel bisulfate, this research is to establish a model based on the three dimensional morphological parameters. The granular samples composed of polymorphs of clopidogrel bisulfate and microcrystalline cellulose (MCC) were scanned by synchrotron radiation X-ray microscopic CT technology (SR-muCT) and the three dimensional structural models for which were constructed. Seven groups of three dimensional morphological parameters were calculated. Finally, the mathematical model was established with the multi-layer perception (MLP) artificial neutral network methods to identify and predict the polymorphs of clopidogrel bisulfate. The success rate of the model prediction for the polymorphs of clopidogrel bisulfate was 92.7% and the area under the ROC curve was 96.2%. The polymorphs of drugs could be identified and predicted through the numerical description of the three dimensional morphology. The volume, number of the vertices and the surface area were the major determinants for the identification of the polymorphs of clopidogrel bisulfate.
资助项目	国家自然科学基金资助项目[00000000]
WOS研究方向	Pharmacology & Pharmacy (provided by Clarivate Analytics)
语种	中文
CSCD记录号	CSCD:4928714
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/267758]
专题	分子影像中心（筹）药物制剂研究中心
作者单位	1.Jiangxi University of Traditional Chinese Medicine, Nanchang, Jiangxi 330004, China.; 2.Hainan Weikang Pharmaceutical (Qianshan) Co., Ltd., Anqing, Anhui 246300, China.; 3.Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.; 4.Shanghai Institute of Materia Medica, Chinese Academy of Sciences; 5.Shanghai 201203, China.
推荐引用方式 GB/T 7714	Chen Long,Wang Liuyi,Yin Xianzhen,et al. Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals[J]. Acta Pharmaceutica Sinica,2013,48(9):1459-1463.
APA	Chen Long.,Wang Liuyi.,Yin Xianzhen.,Wang Jincan.,Liu Ruihao.,...&Zhang Jiwen.(2013).Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals.Acta Pharmaceutica Sinica,48(9),1459-1463.
MLA	Chen Long,et al."Identification of the polymorphs of clopidogrel bisulfate based on the steric morphology parameters of crystals".Acta Pharmaceutica Sinica 48.9(2013):1459-1463.