This manuscript deals with the synthesis ,computational and experimental evaluation of the antimicrobial activity of twenty nine 4-(indol-3-yl) thiazole-2-amines and 4-ιndol-3-yl)thiazole acylamines. Evaluation of antibacterial activity against Gram (+) and Gram (-) bacteria revealed that MIC of indole derivatives being in range of 0.06-1.88 mg/ml, while among fourteen methylindole derivatives only only six were active with MIC at 0.47-1.88 mg/ml. S.aureus appeared to be the most resistant strain, while S. typhimurium the most sensitive.Compound 5x was the most promising with MIC in range of 0.06-0.12 mg/ml, followed by 5d and 5m. Evaluation of these three compounds against resistant strains , namely, MRSA P. aeruginosa and E. coli revealed that they were more potent against MRSA than ampicillin.Furthermore, compounds 5m and 5x were superior inhibitors of biofilm formation thanampicillin and streptomycin in concentration of MIC. Compounds 5d, 5m and 5x interact with streptromycin being additive. Antifungal activity of some compounds exceeded or was equipotent with those of the reference antifungal agents bifonazole and ketoconazole. The most potent as antifungal agent was found to be compound 5g. Drug likeness scores of compounds was in range of -0.63 to 0.29, being moderate to good. According to docking studies E.coli Mur B inhibition is probable responsible for the antibacterial activity of compounds, whereas CYP51 inhibition implicated in antifungal activity. Compounds appeared to be on toxic according to the cytotoxicity assessment in MRC-5 cells.

Introduction: Although, inflammation is a process involved in the natural defence of the organism, anti-inflammatory treatment is needed in many cases to inhibit unregulated, life threatening or chronic inflammatory response. Arachidonic acid derivatives, prostaglandins(PG), produced via the cyclooxygenase(COX) pathway and leukotrienes(LT), produced by the 5-lipoxygenase(5-LOX) pathway are involved in inflammation. Lipoxins(LX), produced by the sequential action of 5-LOX and 15- or 12-LOX, exhibit both pro- and anti-inflammatory action. Particularly in asthma, a limited amount of lipoxins seems to be mandatory for the anticipation of inflammation. Most anti-inflammatory drugs are mainly COX inhibitors. Although, leukotrienes are important mediators of inflammation, only one LOX inhibitor has been approved till now for the treatment of asthma. Research for finding novel effective and safe LOX inhibitors continuous. In the present study, twelve quercetin derivatives were synthesised and evaluated in vitro for LOX inhibitory action. The contribution of substituents to the mode of binding to human 5-LOX was investigated using docking analysis. Methods: Docking analysis was performed using human 5-LOX 3V99. Soybean 1-LOX, broadly used in drug development, was used for in vitro activity evaluation. Results: All compounds exhibited activity with IC50 values between 4μΜ and 18µΜ. Competitive inhibitors with increased inhibition at low substrate concentrations and uncompetitive inhibitors with increased inhibition at high substrate concentrations were among the active compounds. Docking analysis was in accordance with the in vitro results. Compound 1 bearing N-isobutyl, 6-MeO, 2-quinolinone substituent showed the best action exhibiting competitive inhibition, while compound 6 bearing a tricyclic 1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one moiety was the best uncompetitive inhibitor(IC50 =7μΜ). Conclusions: The best inhibitor exhibited improved activity compared to quercetin, while five of the compounds exhibited IC50 values lower or equal to 7μΜ. The presence of compounds with uncompetitive inhibitory action may be of interest for the development of novel inhibitors targeting to balanced inhibition.

Technological advances in high-resolution mass spectrometry (MS) vastly increased the number of samples that can be processed in a life science experiment, as well as volume and complexity of the generated data. To address the bottleneck of high-throughput data processing, we present SmartPeak (https://github. com/AutoFlowResearch/SmartPeak), an application that encapsulates advanced algorithms to enable fast, accurate, and automated processing of capillary electrophoresis–, gas chromatography–, and liquid chromatography (LC)–MS(/MS) data and high-pressure LC data for metabolomics, lipidomics, and fluxomics experiments. The application allows for an approximate 100-fold reduction in the data processing time compared to manual processing while enhancing quality and reproducibility of the results.

In this current investigation, aliphatic amine-cured diglycidyl ether of bisphenol-A (DGEBA) based epoxy coating was mixed with certain weight % hardener polyaminoamide (1:2) and was coated on carbon steel panels with and without 1% nano crystalline Al powder. The corrosion behavior of the coated samples were investigated by exposing them in the salt spray chamber, for 500 hours. According to ASTM-B-117, the bath was kept at 35 °C and 5% NaCl containing mist was sprayed at 1.3 bars pressure. Composition of coatings was confirmed using Fourier-transform infrared spectroscopy (FTIR). Electrochemical characterization of the coated samples was done using potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS) technique. All the experiments were done in 3.5% NaCl solution. The nano Al coated sample shows good corrosion resistance property compared to bare Al sample. In fact after salt spray exposure no pitting or local damage was observed for nano coated sample and the coating gloss was negligibly affected. The surface morphology of coated and corroded samples were studied using scanning electron microscopy (SEM). Keywords: DGEBA, Salt spray, FTIR, Nano Aluminium, Potentiodynamic polarization, EIS, SEM

Worldwide studies towards development of new drugs with a lower rate in emergence of bacterial resistance have been conducted. The molecular docking analysis gives a possibility to predict the activity of new compounds before to perform their synthesis. In this work, the molecular docking analysis of 64 Linezolid dipeptide type analogues was performed to predict their activity. The most negative scores correspond to six Fmoc-protected analogues where Fmoc group interacts in PTC for Linezolid. Twenty-six different Fmoc-protected Linezolid dipeptide-type analogues were synthesized from the chemical modification of ?-aminoacids and tested in antimicrobial experiments. Some of the tasted compounds show significant activity against group A Streptococcus clinical isolated and ATCC 25923 Staphylococcus aureus strain, as well as clinical isolated methicillin resistant Staphylococcus aureus strains, with MIC values lower than Linezolid. The activity of these analogues also was tasted against multidrug-resistant clinical isolates of Mycobacterium tuberculosis with moderate results