SMILES notation based optimal descriptors as a universal tool for the QSAR analysis with further application in drug discovery and design is presented. The basis of this QSAR modeling is Monte Carlo method which has important advantages over other methods, like the possibility of analysis of a QSAR as a random event, is discussed. The advantages of SMILES notation based optimal descriptors in comparison to commonly used descriptors are defined. The published results of QSAR modeling with SMILES notation based optimal descriptors applied for various pharmacologically important endpoints are listed. The presented QSAR modeling approach obeys OECD principles and has mechanistic interpretation with possibility to identify molecular fragments that contribute in positive and negative way to studied biological activity, what is of big importance in computer aided drug design of new compounds with desired activity.

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Two fining agents (bentonite and gelatin) have contributed to the reduction of colour of Pinot Noir wine of different ages. Bentonite caused more significant changes in the colour of young wines. Colour intensity, coloured anthocyanin forms, and polymers were reduced to a greater extent, while colourless anthocyanins and total phenolic substances were reduced to a lower extent. Smaller changes in coloured substances resulted from wine treatment with gelatin. The intensity of the share of yellow colour decreased and the intensity of the share of red colour, together with dA% value, increased. The influence of bentonite on the colour of the wine decreased while the influence of gelatin increased with wine ageing.

The aromatic profile of volatiles in dried figs varieties Bružetka Bijela and Zimnica were characterised by headspace solid-phase (HS-SPME) procedure with gas chromatography-mass spectrometry analysis (GC-MS). The volatile compounds were distributed by distinct chemical classes, including alcohols, aldehydes, esters, terpenic compounds, and other compounds. The figs were dried in a pilot plant cabinet dryer. Prior to drying process, figs were pre-treated by sulphur dioxide, immersed in solution of citric acid and ascorbic acid, respectively. Several mathematical thin-layer drying models, available in the literature, were fitted to experimental data of figs, implementing non-linear regression analysis techniques. The results showed that pre-treatments of figs decrease significantly the drying time. The best thin-layer drying model in terms of fitting performance was Wang and Singh model. The major volatile compound in dried figs was benzaldehyde. After benzaldehyde, the most abundant aldehyde in dried figs was hexanal. The comparison among dried figs showed the highest abundance of aldehydes, in general, in non-treated (control) dried figs compared to pre-treated samples. Furthermore, ascorbic acid was the most efficient in preserving esters and alcohols in case of Bružetka Bijela, whereas in case of Zimnica, sulphur dioxide was in advance compared to ascorbic acid. Ethyl acetate was the most abundant ester found in dried figs. Among other compounds, 2-butanone,3-hydroxy was the most abundant identified volatiles. Linalool, as the only identified terpen, was in case of both dried fig varieties, preserved by immersion into ascorbic acid. The immersion into citric acid has not been so successful in volatiles conservation.

Electron paramagnetic resonance (EPR) spintrapping and spin-probing techniques were applied to determine antioxidant activity of extracts of catkin, leaves, and spiny burs of Castanea sativa against physiologically relevant reactive species-superoxide and hydroxyl radical generated in simple chemical systems and hydrogen peroxide applied on erythrocytes. Efflux of K + was used as a marker of membrane integrity. Chemical composition of extracts was analyzed using HPLC/DAD and LC/MS. Extracts showed high antioxidative capacity against superoxide but lower activity against hydroxyl radical. They protected fluidity and integrity of membranes of erythrocytes exposed to hydrogen peroxide. Levels of derivatives of ellagitannins showed positive correlation with the antioxidative activity of extracts. Therefore, ellagitannins from chestnut extracts could represent easily accessible natural antioxidants and beneficial component of human diet in pathophysiological conditions related to oxidative stress. In conclusion, EPR spectroscopy represents a valuable tool for evaluation of antioxidant activity in both hydrophilic and lipophilic media.

Mycotherapy is defined as the study of the use of extracts and compounds obtained from mushrooms as medicines or health-promoting agents. The present review updates the recent findings on anticancer/antitumor agents derived from mushroom extracts and their metabolites. The increasing number of studies in the past few years revealed mushroom extracts as potent antitumor agents. Also, numerous studies were conducted on bioactive compounds isolated from mushrooms reporting the heteropolysaccharides, β-glucans, α-glucans, proteins, complexes of polysaccharides with proteins, fatty acids, nucleoside antagonists, terpenoids, sesquiterpenes, lanostanoids, sterols and phenolic acids as promising antitumor agents. Also, molecular mechanisms of cytotoxicity against different cancer cell lines are discussed in this review. Findings with Antrodia camphorata and Ganoderma lucidium extracts and isolated compounds are presented, as being the most deeply studied previously.

Mushrooms are useful in balancing human diet and treating different health problems. The main determinant of the fluidity of erythrocyte membranes and rheologic properties of blood is the lipid composition of the membrane, which directly depends on lipids present in the diet. Lipid profiles of 4 European wild edible mushrooms, as well as the ability of mushroom lipids to modify the fluidity of erythrocyte membrane, were examined by using gas chromatography-mass spectometry, gas chromatography-flame ionization detector, and electron paramagnetic resonance spin probing technique. Lipids from 2 species--Macrolepiota procera and Collybia platyphylla--provoked an increase in erythrocyte membrane fluidity. Therefore, introduction of these and other wild mushrooms with similar lipid profiles to the human diet could be very beneficial in the treatment of hypertension and other cardiovascular diseases related to decreased fluidity of erythrocyte membranes.

AbstractŽivković J., Zeković Z., Mujić I., Vidović S., Cvetković D., Lepojević Ž., Nikolić G., Trutić N. (2010): Scavenging capacity of superoxide radical and screening of antimicrobial activity of Castanea sativa Mill. extracts. Czech J. Food Sci., 28: 61-68.The superoxide radical scavenging and antimicrobial activity were examined of sweet chestnuts: seeds, peeled chestnut, brown seed coat, leaves, catkin, spiny burs, and chestnut bark as well as of Lovran's marrone leaves and grafted Italian marrone cultivar. Parts of chestnut were extracted under the same conditions with 50% ethanol as extractant and afterwards the dry extracts of the examined samples were obtained. The total phenolics and flavonoids contents were determined using standard spectrophotometrical methods. The capacity of the investigated extracts to remove radicals was evaluated by EPR method. The most efficient in scavenging• O 2 − radicals proved to be the extracts of leaves of grafted Italian marrone (RI = 86%) and of Lovran's marrone cultivar (RI = 80%). Catkin, leaves, chestnut bark, and spiny burs extracts demonstrated the highest antimicrobial activity. Very significant and significant correlations were established between the antimicrobial activity of extracts and • O 2 − radicals scavenging in all samples examined. The extracts of Castanea Sativa Mill. are important sources of components active in reducing the level of oxidative stress.