Abstract Twelve previously synthesized, biologically active 2,6,7-trihydroxyxanthen-3-one derivatives were evaluated in vitro for antiproliferative activity. Compounds were screened against HeLa, SW620, HepG2 and A549 tumor cell lines. Compound with the trifluormethyl group on C-4’ position of the phenyl ring showed the best inhibitory activity towards HeLa and A549 tumor cells with IC50 of 0.7 and 4.1 µmol L−1, resp. Compound with chlorine and fluorine substituents on aryl ring showed the best antiproliferative activity against SW620 with IC50 of 4.1 µmol L–1 and against HepG2 tumor cell line with IC50 of 4.2 µmol L–1. Analyses of cytotoxic and genotoxic potential of the trifluormethyl derivative were performed with cytokinesis-block micronucleus cytome assay in human lymphocyte culture and revealed no genotoxic and cytotoxic effects. The most potent compounds were subjected to molecular docking simulations in order to analyse bindings to molecular targets and, at the same time, further support the results of experimental cytotoxic tests. Docking studies showed sites of importance in forming hydrogen bonds of the most potent compounds with targets of interest.

Many studies highlight the health benefits of mushrooms, which are consequently becoming more and more interesting for researchers. The content of amino acids (AA), total phenolic content (TPC), and antioxidative activity (AAc) were determined in wild as well as cultivated mushrooms. The AA included: L-tryptophan (Trp), L-arginine (Arg), L-cysteine (Cys), L-methionine (Met), L-alanine (Ala), L-phenylalanine (Phe), L-lysine (Lys), L-valine (Val), L-glycine (Gly), and L-leucine (Leu). The wild mushrooms: Lactarius piperatus, Amanita caesarea, Lactarius deliciosus, Lycoperdon pyriforme, Macrolepiota procera, and cultivated mushrooms: Agaricus bisporus, Boletus aestivalis, Cantharellus cibarius, Pleurotus ostreatus, and Agaricus bisporus var. avellaneus were investigated in this study. The AA was determined by HPTLC method and quantified with a Camag TLC scanner and WINCAT software by scanning the plates at 540 nm. The TPC was spectrophotometrically estimated as gallic acid equivalents/g of fresh weight according to Folin-Ciocalteu’s method. The radical scavenging activity (RSA) of mushroom extracts was determined by DPPH assay. The highest content of Ala, Gly, Phe, Lys, Val, and Leu was found in Pleurotus ostreatus. The total phenolic content (mg GAE/g) in investigated mushrooms ranged from 1.90 to 35.56, and the % RSA ranged from 43.88 to 90.17. This study promotes the consumption of food rich in bioactive compounds, mushrooms being among such food. Further research on mushrooms from Bosnia and Herzegovina and their benefits in the overall maintenance of human health and protection from age-related diseases is necessary.

Three Schiff bases were synthesized by reaction of different benzaldehydes with amino acids. The characterization of these compounds was performed using IR spectroscopy, molecular calculations, thin-layer chromatography, determining the melting point and other physical characteristics. IR spectra for imino groups (C=N), which are characteristic of Schiff bases, show stretching frequency from 1629 to 1654 cm-1. The obtained spectral results were confirmed by molecular calculations using the density functional theory (DFT) and were performed before experimental work. The DFT global chemical reactivity descriptors were calculated and used to predict their relative stability and reactivity of synthesized compounds. The antimicrobial assay of all compounds were screened for Grampositive bacteria species: Staphylococcus aureus ATCC 25923; Methicillin-resistant Staphylococcus aureus: MRSA ATCC 33591; Bacillus subtilis ATCC 6633; and Enterococcus faecalis ATCC 29212, Gram-negative: Salmonella enterica ATCC 31194; Pseudomonas aeruginosa ATCC 9027; Escherichia coli ATCC 25922; Extended Spectrum Beta-Lactamase producing E. coli: ESBL E. coli ATCC 35218, and one yeast Candida albicans ATCC 1023.The highest values of inhibition zones were recorded for compound1, followed by the compound 3, while compound 2 performed inhibitory effect just in case of MRSA. DFT calculations show that antimicrobial activity has a good correlation with chemical reactivity descriptors obtained Schiff bases.

For some synthesized coumarin derivatives, 1H and 13C NMR isotropic chemical shifts and some other molecular properties were calculated using density functional theory. The calculations yield reliable results, that are in good correlation with experimental data. This is a good basis for the collaboration between experimentalists and quantum chemists.