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Computer-Aided Formulation Design for a Highly Soluble Lutein-Cyclodextrin Multiple-Component Delivery System
Zhao, Qianqian1; Miriyala, Nikhila2; Su, Yan1; Chen, Weijie1; Gao, Xuejiao1; Shao, Ling1; Yan, Ru1; Li, Haifeng3; Yao, Xiaojun4; Cao, Dongsheng5; Wang, Yitao1; Ouyang, Defang1
2018-04
Source PublicationMOLECULAR PHARMACEUTICS
ISSN1543-8384
Volume15Issue:4Pages:1664-1673
Abstract

Cyclodextrin (CD) complexation is widely used for the solubilization of poorly soluble drugs in the pharmaceutical industry. Current research was to develop a highly soluble lutein cyclodextrin multiple-component delivery system (lutein CD-MCDS) by combined modeling and experimental approaches. Both phase solubility diagram and molecular dynamics (MD) simulation results revealed that the interactions between lutein and CDs were very weak, which confirmed the insignificant solubility improvement of lutein CD binary system. On the basis of theoretical calculation and preliminary CD studies, lutein CD-MCDS was developed with over 400-fold solubility improvement after formulation screening. MD simulation indicated that the auxiliary polymers of TWEEN 80 and poloxamer 188 in the lutein CD-MCDS introduced bridged interaction between lutein and gamma-CD to increase the solubility, dissolution rate, and stability of the complex. The lutein CD-MCDS was characterized by in vitro dissolution test, differential scanning colorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and powder X-ray diffraction (PXRD). Moreover, lutein-CD-MCDS had significantly higher uptake in Caco-2 cells than free lutein. The relative bioavailability of the lutein CD-MCDS increased to 6.6-fold compared to pure lutein, and to 1.2-fold compared with commercial lutein soft capsules. In conclusion, the highly soluble lutein CD-MCDS with significant improvement in both the solubility and bioavailability was developed and characterized by combined modeling and experimental approaches. Our research indicates that computer-aided formulation design is a promising approach for future formulation development.

KeywordLutein Cyclodextrin Multiple-component System Molecular Dynamics Simulation Bioavailability Computer-aided Formulation Design
DOIhttp://doi.org/10.1021/acs.molpharmaceut.8b00056
URLView the original
Indexed BySCI
Language英语
WOS Research AreaResearch & Experimental Medicine ; Pharmacology & Pharmacy
WOS SubjectMedicine, Research & Experimental ; Pharmacology & Pharmacy
WOS IDWOS:000429283300029
PublisherAMER CHEMICAL SOC
The Source to ArticleWOS
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Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorOuyang, Defang
Affiliation1.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences (ICMS), University of Macau, Macau, China
2.Aston Pharmacy School, School of Life and Health Sciences, Aston University, Birmingham B4 7ET, United Kingdom
3.Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China
4.State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macau, China
5.School of Pharmaceutical Science, Central South University, Changsha 410013, P. R. China
First Author AffilicationInstitute of Chinese Medical Sciences
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Zhao, Qianqian,Miriyala, Nikhila,Su, Yan,et al. Computer-Aided Formulation Design for a Highly Soluble Lutein-Cyclodextrin Multiple-Component Delivery System[J]. MOLECULAR PHARMACEUTICS,2018,15(4):1664-1673.
APA Zhao, Qianqian.,Miriyala, Nikhila.,Su, Yan.,Chen, Weijie.,Gao, Xuejiao.,...&Ouyang, Defang.(2018).Computer-Aided Formulation Design for a Highly Soluble Lutein-Cyclodextrin Multiple-Component Delivery System.MOLECULAR PHARMACEUTICS,15(4),1664-1673.
MLA Zhao, Qianqian,et al."Computer-Aided Formulation Design for a Highly Soluble Lutein-Cyclodextrin Multiple-Component Delivery System".MOLECULAR PHARMACEUTICS 15.4(2018):1664-1673.
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