Insight into the Dissolution Molecular Mechanism of Ternary Solid Dispersions by Combined Experiments and Molecular Simulations

UM > Institute of Chinese Medical Sciences

Status	已發表Published
	Insight into the Dissolution Molecular Mechanism of Ternary Solid Dispersions by Combined Experiments and Molecular Simulations
	Han, R.; Huang, T.; Liu, X.; Yin, X.; Li, H.; Lu, J.; Ji, Y.; Sun, H.; Ouyang, D.
	2019-10-01
Source Publication	AAPS PharmSciTech
ISSN	1530-9932
Pages	274-274
Abstract	With the increase concern of solubilization for insoluble drug, ternary solid dispersion (SD) formulations developed more rapidly than binary systems. However, rational formulation design of ternary systems and their dissolution molecular mechanism were still under development. Current research aimed to develop the effective ternary formulations and investigate their molecular mechanism by integrated experimental and modeling techniques. Glipizide (GLI) was selected as the model drug and PEG was used as the solubilizing polymer, while surfactants (e.g., SDS or Tween80) were the third components. SD samples were prepared at different weight ratio by melting method. In the dissolution tests, the solubilization effect of ternary system with very small amount of surfactant (drug/PEG/surfactant 1/1/0.02) was similar with that of binary systems with high polymer ratios (drug/PEG 1/3 and 1/9). The molecular structure of ternary systems was characterized by differential scanning calorimetry (DSC), infrared absorption spectroscopy (IR), X-ray diffraction (XRD), and scanning electron microscope (SEM). Moreover, molecular dynamic (MD) simulations mimicked the preparation process of SDs, and molecular motion in solvent revealed the dissolution mechanism of SD. As the Gordon–Taylor equation described, the experimental and calculated values of Tg were compared for ternary and binary systems, which confirmed good miscibility of GLI with other components. In summary, ternary SD systems could significantly decrease the usage of polymers than binary system. Molecular mechanism of dissolution for both binary and ternary solid dispersions was revealed by combined experiments and molecular modeling techniques. Our research provides a novel pathway for the further research of ternary solid dispersion formulations. © 2019, American Association of Pharmaceutical Scientists.
Keyword	dissolution effect molecular modeling solid dispersion ternary system
Language	英語English
The Source to Article	PB_Publication
PUB ID	45483
Document Type	Journal article
Collection	Institute of Chinese Medical Sciences
Corresponding Author	Ouyang, D.
Recommended Citation GB/T 7714	Han, R.,Huang, T.,Liu, X.,et al. Insight into the Dissolution Molecular Mechanism of Ternary Solid Dispersions by Combined Experiments and Molecular Simulations[J]. AAPS PharmSciTech, 2019, 274-274.
APA	Han, R.., Huang, T.., Liu, X.., Yin, X.., Li, H.., Lu, J.., Ji, Y.., Sun, H.., & Ouyang, D. (2019). Insight into the Dissolution Molecular Mechanism of Ternary Solid Dispersions by Combined Experiments and Molecular Simulations. AAPS PharmSciTech, 274-274.
MLA	Han, R.,et al."Insight into the Dissolution Molecular Mechanism of Ternary Solid Dispersions by Combined Experiments and Molecular Simulations".AAPS PharmSciTech (2019):274-274.

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