Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp.

Synthesis of Various Derivatives of [1,3]Selenazolo[4,5‐d]pyrimidine and Exploitation of These Heterocyclic Systems as Antibacterial, Antifungal, and Anticancer Agents

“…Inhibitory property of all the newly synthesized compounds Antifungal activities of the selenium-containing heterocycles 3 a-i were more significant than their antibacterial properties, as predicted upon previous researches. [21,22] Whereas compounds 3 a, 3 b and 3 i were effective against all fungal strains, compounds 3 d, 3 g and 3 h could exclusively hinder the growth of only one fungus, effectively. The only efficient piperidine-substituted derivatives against Aspergillus fumigatus and Fusarium oxysporum were compounds 3 e and 3 f, respectively.…”

“…[2] In addition, it plays a pivotal role in the activity of various enzymes such as thioredoxin reductase, iodothyronine deiodinase, selenophosphate synthetase, and selenoprotein P. [3][4][5][6][7] Based on a large variety of chemical, physical, and biological properties associated with the presence of selenium, the synthesis of many Se-containing heterocycles has been developed as a very active research area. [8,9,18,[10][11][12][13][14][15][16][17] A diversity of organic selenium derivatives has earned well-deserved reputation for effective biocidal, [19,20] antifungal, [21][22][23][24] antiinflammatory, [25] anti-HIV, [26][27][28] antioxidant, [23,[29][30][31][32][33][34] free radical scavenging, [29,31,33,[35][36][37][38] antimicrobial, [22,24,39] anticonvulsant, [39] histone deacetylase …”

Assigning the stereochemistry of syn and anti β-trimethylsiloxy-α-trimethylsilyl alkanoic acid silyl esters using GIAO 1H NMR chemical shift calculations

“…Since a few decades, ab initio NMR chemical shift calculations have been used to interpret experimental spectroscopic data and therefore to assign the structures, the stereostructures, as well as the conformations of complex molecules, including, to name a few, supramolecular host-guest compounds [1], elatenyne [2], eightmembered benzoannulated lactams [3], hexahydrobenzazocines [4], strychnine [5], heparin trisaccharide [6], triterpenes [7], dimeric indole alkaloids [8], thiazole and selenazole derivatives [9], (þ)-limonene [10], darcyribeirine [11]. This approach has also helped to analyze the signatures of stereochemistry in poly(vinyl chloride) (PVC) oligomers and to highlight the signatures of their unsaturated and branched defects [12,13].…”

Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2H-thiopyran-4-yl based thiazoles and selenazoles

“…In our earlier study it has been shown that compounds possessing selenazol-2-yl-hydrazine pharmacophore and cyclohexanone moiety demonstrated high antifungal activity 32,33 . Keeping in mind the above facts and continuing our previous investigation on the synthesis and molecular interaction of biologically active azoles [34][35][36][37] , we decided to prepare twelve novel 2,4-disubstituted 1,3-thiazoles and ten novel 2,4-disubstituted 1,3-selenazoles containing tetrahydro-2H-thiopyran-4-yl pharmacophore to improve their biological properties and increase the possibility of their future use.…”