Dobrodub I. Biological activity of (2-methyl(phenyl)quinoline-4-ylthio)carboxylic acids and their derivatives

(2-Methyl (phenyl) quinoline-4-ylthio) carboxylic acids and their derivatives. Searching for new highly effective and low-toxic compounds with antimicrobial, antitumor, AOA and immunotropic activity in a number of derivatives (2-R-quinoline-4-ylthio) carboxylic acids. PASS-forecast, GUSAR, TEST, QSAR-analysis, molecular docking, chemical synthesis, TLC, 1H NMR spectroscopy, chromato-mass spectrometry, biological and biochemical methods (investigation of antimicrobial activity, acute toxicity, antiradical and antioxidant activity (in vitro), antitumor and immunotropic action), methods of mathematical statistics. A combinatorial library was developed and chemometric studies of (2-R-quinoline-4-ylthio) carboxylic acids were performed. The most promising arrays of compounds have been selected for further synthesis and biological testing. On the basis of purposeful synthesis, 40 compounds of this series were obtained, three substances were proposed as highly active compounds with pronounced biological properties. SAR and QSAR models of toxicity among carboxylic acids derivatives (2-R-quinoline-4-ylthio) been constructed. The influence of substituents in the quinoline cycle of carboxylic acid s derivatives (quinoline-4-ylthio) on the manifestation of biological action and toxicity has been clarified. The test compounds are active against and inhibit resistant forms of E. coli DNA gyrase B (GyrB). Derivatives (2-R-quinolin-4-ylthio) of carboxylic acids showed antioxidant properties as "traps" of superoxide anion. The studied compounds showed a high protective effect against male sperm under H2O2-induced oxidative stress. Scope of use - bioorganic chemistry, medical chemistry