Approaching drug release performance from mesoporous silica formulations by modeling of chemical potentials

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11160%2F25%3A10505018" target="_blank" >RIV/00216208:11160/25:10505018 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=gL8FzTljVR" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=gL8FzTljVR</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ejps.2025.107283" target="_blank" >10.1016/j.ejps.2025.107283</a>

Result language

angličtina

Original language name

Approaching drug release performance from mesoporous silica formulations by modeling of chemical potentials

Original language description

Mesoporous silica are promising bio-enabling carriers for poorly soluble drugs. However, a comprehensive understanding of drug-silica interactions and their impact on drug release remains limited. Apart from urgently needed experimental tools, predictive in silico tools that consider drug-carrier interactions in aqueous media are currently lacking. To address this gap, a novel in silico approach (silica-water partitioning coefficient) was introduced in this study. A series of ten drugs were loaded onto a mesoporous carrier (Parteck(R) SLC 500), and the products were analyzed using differential scanning calorimetry (DSC) and X-ray powder diffraction (XRPD). In vitro dissolution (USP II) profiles of drug-loaded formulations were analyzed and correlated with a newly introduced silica-water partitioning coefficient derived from chemical potential calculations using the Conductor-like Screening Model for Real Solvents (COSMO-RS). Strong correlations were observed between dissolution parameters, such as the initial release slopes (Pearson r = -0.98; p = &lt;0.05) and AUC values (Pearson r = -0.79; p &lt; 0.05), and the calculated chemical potential-based partitioning coefficient. This study introduces a predictive method based on COSMO-RS-derived chemical potentials to estimate silica-water partitioning for drugs, thereby predicting their release performance from mesoporous silica formulations. The results demonstrate that these calculated chemical potentials can qualitatively rank the drug release kinetics in aqueous media. Further investigation with additional compounds and carrier types may broaden the applicability of this approach as a mechanistic tool for mesoporous silica formulation development and contribute to narrowing the gap toward future clinical translation.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

30104 - Pharmacology and pharmacy

Project

<a href="/en/project/EH22_008%2F0004607" target="_blank" >EH22_008/0004607: New Technologies for Translational Research in Pharmaceutical Sciences /NETPHARM</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

European Journal of Pharmaceutical Sciences

ISSN

0928-0987

e-ISSN

1879-0720

Volume of the periodical

214

Issue of the periodical within the volume

November

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

11

Pages from-to

107283

UT code for WoS article

001589779400001

EID of the result in the Scopus database

2-s2.0-105017554366