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A Comparison of Antioxidant, Antibacterial, and Anticancer Activity of the Selected Thyme Species by Means of Hierarchical Clustering and Principal Component Analysis

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Orłowska M. , Pytlakowska K. , Mrozek-Wilczkiewicz A. , Musioł R. , Waksmundzka-Hajnos M. , Sajewicz M. , Kowalska T.

2016

tom Vol. 28, no. 2

207--221

In this study, six numerical data sets are presented valid for eighteen thyme (Thymus L.) species and characterizing three biological properties of these herbs, i.e., antioxidant, antibacterial, and anticancer activity. Four data sets characterize antioxidant properties, one data set characterizes antibacterial property, and one data set characterizes anticancer activity. Antioxidant properties were measured with two free radical standards (DPPH and ABTS), two free radical scavenger standards (trolox and gallic acid), and three analytical techniques (EPR spectroscopy, ultraviolet–visible [UV–vis] spectrophotometry, and the dot blot test with bioautographic detection). Antibacterial activity was tested upon the Gram-positive Bacillus subtilis (ATCC 6633) strain, and anticancer activity was evaluated upon the human colon adenocarcinoma cells (HCT116). It was found out that the thyme extracts characterize with all three biological activities (yet with anticancer activity not very strongly pronounced) and that in quantitative terms, each activity strongly depends on the thyme species considered. An ultimate goal of this study was to investigate if any quantitatively confirmed correlation exists among these three biological activities, which might point out to a common mechanism of their action. To this effect, six sets of numerical data underwent hierarchical clustering and Principal Component Analysis. Based on the results obtained, no quantitative correlation was established among antioxidant, antibacterial, and anticancer activity of the thyme species, which seems indicative of different molecular mechanisms of these three actions.

HPLC and 13C NMR for analysis of transamidation in a dynamic combinatorial chemistry system

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Pałka A. , Musioł R. , Matlengiewicz M. , Sajewicz M. , Serafin K. , Polański J.

tom No. 17

314-319

The permanent demand for novel drugs by the pharmaceutical industry results in a variety of novel methods for drug discovery. Combinatorial methods are a novel direction of drug research based on synthesis of large number of compounds in the hope of finding interesting drug-like molecules. In dynamic combinatorial chemistry (DCC) an enzyme is used to control the synthetic path and increase the proportion of the drug-like molecules in the reaction mixture. Because the mixture formed by the reaction is complex, analytical procedures limit possible application of the method. In the work discussed in this publication HPLC was coupled with 13C NMR for analysis of a DCC system. Transamidation controlled by use of Candida rugosa lipase was compared with the reaction without the enzyme. This enabled us to show that the enzyme-promoted reaction favoured the amine with the lowest nucleophilicity.