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Molecular Dynamics and Physical Stability of Ibuprofen in Binary Mixtures with an Acetylated Derivative of Maltose.
Mol Pharm. 2020 Jul 09 [Online ahead of print]MP

Abstract

In this paper, we explore the strategy increasingly used to improve the bioavailability of poorly water-soluble crystalline drugs by formulating their amorphous solid dispersions. We focus on the potential application of a low molecular weight excipient octaacetyl-maltose (acMAL) to prepare physically stable amorphous solid dispersions with ibuprofen (IBU) aimed at enhancing water solubility of the drug compared to that of its crystalline counterpart. We thoroughly investigate global and local molecular dynamics, thermal properties, and physical stability of the IBU+acMAL binary systems by using broadband dielectric spectroscopy and differential scanning calorimetry as well as test their water solubility and dissolution rate. The obtained results are extensively discussed by analyzing several factors considered to affect the physical stability of amorphous systems, including those related to the global mobility, such as plasticization/antiplasticization effects, the activation energy, fragility parameter, and the number of dynamically correlated molecules as well as specific intermolecular interactions like hydrogen bonds, supporting the latter by density functional theory calculations. The observations made for the IBU+acMAL binary systems and drawn recommendations give a better insight into our understanding of molecular mechanisms governing the physical stability of amorphous solid dispersions.

Authors+Show Affiliations

Institute of Physics, University of Silesia in Katowice, ul. 75 Pułku Piechoty 1, 41-500 Chorzów, Poland. Silesian Center for Education and Interdisciplinary Research, ul. 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland.Institute of Physics, University of Silesia in Katowice, ul. 75 Pułku Piechoty 1, 41-500 Chorzów, Poland. Silesian Center for Education and Interdisciplinary Research, ul. 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland.Institute of Physics, University of Silesia in Katowice, ul. 75 Pułku Piechoty 1, 41-500 Chorzów, Poland. Silesian Center for Education and Interdisciplinary Research, ul. 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland.Institute of Physics, University of Silesia in Katowice, ul. 75 Pułku Piechoty 1, 41-500 Chorzów, Poland. Silesian Center for Education and Interdisciplinary Research, ul. 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland.Faculty of Pharmacy, Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Medyczna 9, 30-688 Kraków, Poland.Faculty of Pharmacy, Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Medyczna 9, 30-688 Kraków, Poland.Faculty of Pharmacy, Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Medyczna 9, 30-688 Kraków, Poland.Faculty of Pharmacy, Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Medyczna 9, 30-688 Kraków, Poland.Institute of Chemistry, University of Silesia in Katowice, Szkolna Street 9, 40-006 Katowice, Poland.Institute of Chemistry, University of Silesia in Katowice, Szkolna Street 9, 40-006 Katowice, Poland.Institute of Physics, University of Silesia in Katowice, ul. 75 Pułku Piechoty 1, 41-500 Chorzów, Poland. Silesian Center for Education and Interdisciplinary Research, ul. 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

32584584

Citation

Grzybowska, Katarzyna, et al. "Molecular Dynamics and Physical Stability of Ibuprofen in Binary Mixtures With an Acetylated Derivative of Maltose." Molecular Pharmaceutics, 2020.
Grzybowska K, Grzybowski A, Knapik-Kowalczuk J, et al. Molecular Dynamics and Physical Stability of Ibuprofen in Binary Mixtures with an Acetylated Derivative of Maltose. Mol Pharm. 2020.
Grzybowska, K., Grzybowski, A., Knapik-Kowalczuk, J., Chmiel, K., Woyna-Orlewicz, K., Szafraniec-Szczęsny, J., Antosik-Rogóż, A., Jachowicz, R., Kowalska-Szojda, K., Lodowski, P., & Paluch, M. (2020). Molecular Dynamics and Physical Stability of Ibuprofen in Binary Mixtures with an Acetylated Derivative of Maltose. Molecular Pharmaceutics. https://doi.org/10.1021/acs.molpharmaceut.0c00517
Grzybowska K, et al. Molecular Dynamics and Physical Stability of Ibuprofen in Binary Mixtures With an Acetylated Derivative of Maltose. Mol Pharm. 2020 Jul 9; PubMed PMID: 32584584.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Molecular Dynamics and Physical Stability of Ibuprofen in Binary Mixtures with an Acetylated Derivative of Maltose. AU - Grzybowska,Katarzyna, AU - Grzybowski,Andrzej, AU - Knapik-Kowalczuk,Justyna, AU - Chmiel,Krzysztof, AU - Woyna-Orlewicz,Krzysztof, AU - Szafraniec-Szczęsny,Joanna, AU - Antosik-Rogóż,Agata, AU - Jachowicz,Renata, AU - Kowalska-Szojda,Katarzyna, AU - Lodowski,Piotr, AU - Paluch,Marian, Y1 - 2020/07/09/ PY - 2020/6/26/pubmed PY - 2020/6/26/medline PY - 2020/6/26/entrez KW - amorphous drug KW - amorphous solid dispersion KW - crystallization KW - devitrification KW - glass transition KW - ibuprofen KW - molecular dynamics KW - physical stability JF - Molecular pharmaceutics JO - Mol. Pharm. N2 - In this paper, we explore the strategy increasingly used to improve the bioavailability of poorly water-soluble crystalline drugs by formulating their amorphous solid dispersions. We focus on the potential application of a low molecular weight excipient octaacetyl-maltose (acMAL) to prepare physically stable amorphous solid dispersions with ibuprofen (IBU) aimed at enhancing water solubility of the drug compared to that of its crystalline counterpart. We thoroughly investigate global and local molecular dynamics, thermal properties, and physical stability of the IBU+acMAL binary systems by using broadband dielectric spectroscopy and differential scanning calorimetry as well as test their water solubility and dissolution rate. The obtained results are extensively discussed by analyzing several factors considered to affect the physical stability of amorphous systems, including those related to the global mobility, such as plasticization/antiplasticization effects, the activation energy, fragility parameter, and the number of dynamically correlated molecules as well as specific intermolecular interactions like hydrogen bonds, supporting the latter by density functional theory calculations. The observations made for the IBU+acMAL binary systems and drawn recommendations give a better insight into our understanding of molecular mechanisms governing the physical stability of amorphous solid dispersions. SN - 1543-8392 UR - https://www.unboundmedicine.com/medline/citation/32584584/Molecular_dynamics_and_physical_stability_of_ibuprofen_in_binary_mixtures_with_acetylated_derivative_of_maltose L2 - https://doi.org/10.1021/acs.molpharmaceut.0c00517 DB - PRIME DP - Unbound Medicine ER -