Study of disordered mesoporous silica regarding intrinsic compound affinity to the carrier and drug-accessible surface area
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Publication date
2023
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01A - Journal article
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Molecular Pharmaceutics
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20
Issue / Number
12
Pages / Duration
6301-6310
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ACS
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Abstract
There is increasing research interest in using mesoporous silica for the delivery of poorly water-soluble drugs that are stabilized in a noncrystalline form. Most research has been done on ordered silica, whereas far fewer studies have been published on using nonordered mesoporous silica, and little is known about intrinsic drug affinity to the silica surface. The present mechanistic study uses inverse gas chromatography (IGC) to analyze the surface energies of three different commercially available disordered mesoporous silica grades in the gas phase. Using the more drug-like probe molecule octane instead of nitrogen, the concept of a “drug-accessible surface area” is hereby introduced, and the effect on drug monolayer capacity is addressed. In addition, enthalpic interactions of molecules with the silica surface were calculated based on molecular mechanics, and entropic energy contributions of volatiles were estimated considering molecular flexibility. These free energy contributions were used in a regression model, giving a successful comparison with experimental desorption energies from IGC. It is proposed that a simplified model for drugs based only on the enthalpic interactions can provide an affinity ranking to the silica surface. Following this preformulation research on mesoporous silica, future studies may harness the presented concepts to guide formulation scientists. © 2023 American Chemical Society.
Keywords
Drug-silica interaction prediction, Inverse gas chromatography, Mesoporous silica carrier, Modeling-based prediction, Monolayer capacity
Subject (DDC)
600 - Technik, Medizin, angewandte Wissenschaften
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1543-8384
1543-8392
1543-8392
Language
English
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Yes
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Publication status
Published
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Closed
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Citation
NIEDERQUELL, Andreas, Barbora VRANÍKOVÁ und Martin KUENTZ, 2023. Study of disordered mesoporous silica regarding intrinsic compound affinity to the carrier and drug-accessible surface area. Molecular Pharmaceutics. 2023. Bd. 20, Nr. 12, S. 6301–6310. DOI 10.1021/acs.molpharmaceut.3c00690. Verfügbar unter: https://irf.fhnw.ch/handle/11654/44034