Synthesis and Influence of 3-Amino Benzoxaboroles Structure on Their Activity against Candida albicans
Benzoxaboroles emerged recently as molecules of high medicinal potential with Kerydin®
Dependence of the Substituent Effect on Solvent Properties
The influence of a solvent on the substituent effect (SE) in 1,4-disubstituted derivatives of benzene (BEN), cyclohexa-1,3-diene (CHD), and bicyclo[2.2.2]octane (BCO) is studied by the use of polarizable continuum model method. In all X–R–Y systems for the functional group Y (NO2, COOH, OH, and NH2), the following substituents X have been chosen: NO2, CHO, H, OH, and NH2. The substituent effect is characterized by the charge of the substituent active region (cSAR(X)), substituent effect stabilization energy (SESE), and substituent constants σ or F descriptors, the functional groups by cSAR(Y), whereas π-electron delocalization of transmitting moieties (BEN and CHD) is characterized by a geo…
Formation of Variously Shaped Gold Nanoparticles by Anabaena laxa
Anew aspect of this study is the biocatalysis ability of Anabaena laxa—fresh-water strain—which to date has not been studied with respect to the formation of gold nanoparticles. The results of our study have shown that A. laxa is able to form gold nanoparticles (AuNPs) at good yields within 24 h of incubation at all three tested concentrations (0.1, 0.5 and 1 mM) of hydrogen tetrachloroaurate (III). After 24 h, nanoparticles were mostly localized in the growth medium, which significantly facilitates their isolation. However, the elongation of this process is accompanied by their concentration in the exopolysaccharide (EPS) layer of the cyanobacterial cells. There is a correlation between th…
Synthesis, structure, properties and antimicrobial activity of para trifluoromethyl phenylboronic derivatives
The [2-formyl-4-(trifluoromethyl)phenyl]boronic acid as well as its benzoxaborole and bis(benzoxaborole) derivatives were obtained and their properties studied. The 2-formyl compound displays an unusual structure in the crystalline state, with a significant twist of the boronic group, whereas in DMSO solution it tautomerizes with formation of a cyclic isomer. All the studied compounds exhibit relatively high acidity as well as a reasonable antimicrobial activity. Docking studies showed interactions of all the investigated compounds with the binding pocket of Candida albicans LeuRS. High activity against Bacillus cereus was determined for the 2-formyl compound as well as for the novel bis(be…
Synthesis, Properties and Antimicrobial Activity of 5-Trifluoromethyl-2-formylphenylboronic Acid
2-Formylphenylboronic acids display many interesting features, not only from synthetic but also from an application as well as structural points of view. 5-Trifluoromethyl-2-formyl phenylboronic acid has been synthesized and characterized in terms of its structure and properties. The presence of an electron-withdrawing substituent results in a considerable rise in the acidity in comparison with its analogues. In some solutions, the title compound isomerizes with formation of the corresponding 3-hydroxybenzoxaborole. Taking into account the probable mechanism of antifungal action of benzoxaboroles, which blocks the cytoplasmic leucyl-tRNA synthetase (LeuRS) of the microorganism, docking stud…
Synthesis and structural elucidation of novel antifungal N-(fluorophenyl)piperazinyl benzoxaboroles and their analogues
Abstract Series of novel N-(fluorophenyl)piperazine derivatives of phenylboronic compounds including benzoxaboroles, phenylboronic acids and phenylboronic methyl monoester have been obtained by facile synthetic methods starting from 2-formylphenylboronic acid. Molecular and crystal structures of those novel derivatives have been investigated by single crystal X-ray diffraction method. The Bond Valence Vector Model was used to describe strains in the boron coordination sphere. Microbiological activity of novel benzoxaboroles as well as their corresponding acid analogues against: A. niger, A. terreus, P. ochrochloron, C. tenuis and F. dimerum has been evaluated. The presence of heterocyclic b…
CCDC 1998837: Experimental Crystal Structure Determination
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CCDC 2082738: Experimental Crystal Structure Determination
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CCDC 1822975: Experimental Crystal Structure Determination
Related Article: Krzysztof M. Borys, Alicja Matuszewska, Dorota Wieczorek, Karolina Kopczyńska, Jacek Lipok, Izabela D. Madura, Agnieszka Adamczyk-Woźniak|2019|J.Mol.Struct.|1181|587|doi:10.1016/j.molstruc.2019.01.018
CCDC 1959978: Experimental Crystal Structure Determination
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CCDC 1822973: Experimental Crystal Structure Determination
Related Article: Krzysztof M. Borys, Alicja Matuszewska, Dorota Wieczorek, Karolina Kopczyńska, Jacek Lipok, Izabela D. Madura, Agnieszka Adamczyk-Woźniak|2019|J.Mol.Struct.|1181|587|doi:10.1016/j.molstruc.2019.01.018
CCDC 1822974: Experimental Crystal Structure Determination
Related Article: Krzysztof M. Borys, Alicja Matuszewska, Dorota Wieczorek, Karolina Kopczyńska, Jacek Lipok, Izabela D. Madura, Agnieszka Adamczyk-Woźniak|2019|J.Mol.Struct.|1181|587|doi:10.1016/j.molstruc.2019.01.018
CCDC 1822972: Experimental Crystal Structure Determination
Related Article: Krzysztof M. Borys, Alicja Matuszewska, Dorota Wieczorek, Karolina Kopczyńska, Jacek Lipok, Izabela D. Madura, Agnieszka Adamczyk-Woźniak|2019|J.Mol.Struct.|1181|587|doi:10.1016/j.molstruc.2019.01.018
CCDC 1998838: Experimental Crystal Structure Determination
Related Article: Dorota Wieczorek, Ewa Kaczorowska, Marta Wiśniewska, Izabela D. Madura, Magdalena Leśniak, Jacek Lipok, Agnieszka Adamczyk-Woźniak|2020|Molecules|25|5999|doi:10.3390/molecules25245999
CCDC 1822976: Experimental Crystal Structure Determination
Related Article: Krzysztof M. Borys, Alicja Matuszewska, Dorota Wieczorek, Karolina Kopczyńska, Jacek Lipok, Izabela D. Madura, Agnieszka Adamczyk-Woźniak|2019|J.Mol.Struct.|1181|587|doi:10.1016/j.molstruc.2019.01.018