In silico and In vitro Evaluation of Some Synthesized Quinoline Derivatives into MexB Protein of Pseudomonas aeruginosa
Abstract
Molecular docking performed to evaluate the effect of five quinoline derivatives on the MexB protein of Pseudomonas aeruginosa as a potential inhibitor by utilizing the 3D structure of each quinoline compounds (C1, C2, C3, C4, and C5), and the crystal structure of the protein, C4 showed the greatest potential with -31.4 kcal/mol binding energy, and the lowest potential was for C1 with (-18.5 kcal/mol) compared with ciprofloxacin. Fifty samples were collected from different sites from patients who are attending to the medical city of Baghdad and private Dhelal Beirut Center, Baghdad, 36 of the samples were diagnosed as P. aeruginosa by routine culture test and confirmed by VITEK2, and those isolates were subjected to the susceptibility test against carbapenems, carbenicillin, levofloxacin, and erythromycin by disc diffusion method. The isolates that showed resistance to all of four antibiotics were based to evaluate the activity of quinoline derivatives by using the agar well diffusion method, where compounds C4 and C5 showed the highest line of activity as the minimum inhibitory concentration (MIC) was 256 μg/mL, meanwhile, C1 showed the lowest activity with MIC of 1,024 μg/mL.
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