Anti-uropathogenic activity, drug likeness, physicochemical and molecular docking assessment of (E-)-N′-(substituted-benzylidene)-2-(quinolin-8-yloxy) acetohydrazide

摘要: Abstract Objective To deal with the anti-uropathogenic and in silico screening of (E-)-N′-(substituted-benzylidene)-2-(quinolin-8-yloxy)acetohydrazide analogues order to search potential agents. Methods Three were synthesized. Structure elucidation was done using various spectroscopic techniques including infrared radiation, 1hydrogen-nuclear magnetic resonance, carbon-13 nuclear etc . Physicochemical score, bioactivity score molecular docking studies carried out Lipinski's rule five, Molinspiration (web based software), Autodock 4.2 tools. In vitro activity against four pathogens named as Staphylococcus aureus ( S. aureus ), epidermidis , Proteus mirabilis Escherichia coli by disc diffusion method macro-dilution test following their morphological biochemical characterization. Results The formation is confirmed from results. All compounds found compliance five exhibited from −0.50 0.00. Docking results revealed that compound-1 forming one hydrogen bond TYR 576 two GLU 569, while compound-2 ARG 599, compound-3 0 bond. evaluation compound better it possess moderate good both Gram-positive bacteria Gram-negative excluding Conclusions Our study than standard case rest pathogens. Molecular docking, physicochemical strongly supported experimental From well obtained concluded can lead