Quinazoline Derivatives Designed as Efflux Pump Inhibitors: Molecular Modeling and Spectroscopic Studies

Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs. In silico approach investigates the pharmacodynamic and pharmacokinetic profile of BG1189 and BG1190 quinazolines. Molecular docking and predicted ADMET features suggest that BG1189 and BG1190 may represent attractive candidates as antimicrobial drugs. UV-Vis absorption spectroscopy was employed to study the time stability of quinazoline solutions in water or in dimethyl sulfoxide (DMSO), in constant environmental conditions, and to determine the influence of usual storage temperature, normal room lighting and laser radiation (photostability) on samples stability. The effects of irradiation on BG1189 and BG1190 molecules were also assessed through Fourier-transform infrared (FTIR) spectroscopy. FTIR spectra showed that laser radiation breaks some chemical bonds affecting the substituents and the quinazoline radical of the compounds.     

Synthesis and characterization of some Cr(III), Fe(III) and Zr(IV) compounds with substituted o-hydroxy benzophenone

This work presents our data concerning the synthesis and characterization of some Cr(III), Fe(III) and Zr(IV) complexes with substituted (2-hydroxy-4-methoxy-phenyl)-phenyl-methanone - C₁₄H₁₂O₃, denoted by (L1). The synthesis of these complex compounds was performed using melted urea as reaction medium. The obtained complexes have been studied by chemical analysis, IR spectroscopy, X-ray diffraction and thermogravimetric analysis. Based on the data resulting from the thermal behaviour of the studied complex compounds, the kinetic parameters of the thermal decomposition reactions have been determined. This revised version was published online in July 2006 with corrections to the Cover Date.     

Thioureas from 3-aminoquinazolin-4(3H)-one. 2. Unusual alkaline recyclization of 3-(N",N",S-trialkylisothioureido)quinazolin-4(3H)-ones into new 1,3,4-oxadiazoles

3-(N",N",S-trialkylisothioureido)quinazolin-4(3H)-ones obtained by the reactions of 3-(N",N"-dialkylthioureido)quinazolin-4(3H)-ones with alkyl halides undergo unusual recyclization into 5-(2-aminophenyl)-2-dialkylamino-1,3,4-oxadiazoles under the action of aqueous solutions of alkali, hydrazine, and primary aliphatic amines. A plausible mechanism of the recyclization was proposed.     

Studies on the Electronic Transport Properties of some New Chelate Compounds Containing Siloxane

The temperature dependence of the electrical conductivity and the Seebeck coefficient of some new complex polymeric structures containing metal chelate sequences alternating with silane units were studied. The measurements were performed using thin films deposited from solution. The investigated polymers have interesting semiconducting characteristics. The correlations between these characteristics and the molecular structure of the respective polymers are discussed.     

Effects of Atmospheric-Pressure Plasma Treatment on the Processes Involved in Fabrics Dyeing

Plasma Chemistry and Plasma Processing - A study is conducted on the surface modification of synthetic woven textiles, using atmospheric-pressure plasma, for controlled adhesion for subsequent...