Title of article :
RP-HPTLC Retention Data in Correlation with the In-silico ADME Properties of a Series of s-triazine Derivatives
Author/Authors :
Jevrić, Lidija R Department of Applied and Engineering Chemistry - Faculty of Technology - University of Novi Sad, Serbia , Podunavac-Kuzmanović, Sanja O Department of Applied and Engineering Chemistry - Faculty of Technology - University of Novi Sad, Serbia , Švarc-Gajić, Jaroslava V Department of Applied and Engineering Chemistry - Faculty of Technology - University of Novi Sad, Serbia , Kovačević, Strahinja Z Department of Applied and Engineering Chemistry - Faculty of Technology - University of Novi Sad, Serbia , Jovanović, Bratislav Ž Institute for Chemistry - Technology and Metallurgy - University of Belgrade, Serbia
Abstract :
The properties relevant to pharmacokinetics and pharmacodynamics of four series
of synthesized s-triazine derivatives have been studied by Quantitative structureretention relationship (QSRR) approach. The chromatographic behavior of these compounds was investigated by using reversed-phase high performance thin-layer chromatography (RP-HPTLC). Chromatographic retention (RM 0) was correlated
with selected physicochemical parameters relevant to pharmacokinetics, i.e. ADME
(absorption, distribution, metabolism and excretion). In addition, the ability to act as
kinase inhibitors and protease inhibitors was predicted for all investigated triazine
classes. Also, in order to confirm similarities/dissimilarities between series of examined
compounds, principal compo nent analysis (PCA) based on calculated ADME properties
was conducted. The RM 0 values of the s-triazine derivatives have been recommended
for description and evaluation of pharmacokinetic properties. According to results
of this study, the synthesized s-triazine derivatives meet pharmacokinetic criteria of
preselection for drug candidates.
Keywords :
s-triazine derivatives , In-silico , ADME , PCA , Polynomial regression
Journal title :
Astroparticle Physics
