Assessment of Lipophilicity Descriptors of Selected NSAIDs Obtained at Different TLC Stationary Phases.
Pharmaceutics
; 13(4)2021 Mar 24.
Article
em En
| MEDLINE
| ID: mdl-33805056
ABSTRACT
Lipophilicity study of selected NSAIDs, the group of the bioactive compounds usually used in humans and animals medicine, with the use of experimental and calculation methods was evaluated. LogP values are proposed and compared as descriptors of the lipophilicity of eleven compounds (from oxicams and coxibs). Obtained data were designated by thin-layer chromatography (TLC) in various chromatographic conditions, with stationary phases with different properties. The mobile phase systems were prepared by mixing the respective amounts of water and organic modifier, methanol and acetone, in the range of 30 to 80% (v/v) in 5% increments. Retention parameters (RF, RM and RM0) were calculated and statistically evaluated to establish correlations. All experimentally determined RM0 values were compared with partition coefficients obtained by computational methods using linear regression analysis. Moreover, in order to extract information about the lipophilicity of compounds from large retention datasets, two chemometric approaches, namely principal component analysis (PCA) and cluster analysis (CA) were carried out. Established models of lipophilicity may have the potential to predict the biological activity of a number of drugs. The presented knowledge may also be of use during drug discovery processes, broadening the knowledge of potential ways to modify the physicochemical properties of chemical compounds.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
Pharmaceutics
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Polônia