Synthesis, Characterization, In Silico and In Vitro Antimicrobial Evaluation of Some Quinoline Derivatives

Abstract

A series of quinoline derivatives (4a–4k) were synthesized and were tested to assess ADMET properties, docking behaviour, and antibacterial potential. A series of various quinoline derivatives were synthesized by simple and efficient three-component reaction using anilines, aromatic aldehydes and ethyl acetoacetate with acetonitrile as a solvent. The characterization of the synthesized compounds was done by IR spectra and NMR spectra. Compound 4d showed the highest binding affinity of (−8.4 kcal/mol). Strong interactions that involved key amino acids were also observed here. ADMET analysis revealed outstanding intestinal absorption and also CNS permeability. The antibacterial activity of synthesized quinoline derivatives was evaluated using the agar diffusion method against two Gram-positive and two Gram-negative bacteria, with ciprofloxacin as the standard. Compounds 4c, 4d, and 4j showed broad-spectrum activity, with 4c demonstrating the most consistent and potent inhibition, surpassing ciprofloxacin against B. subtilis and E. coli, making it a promising lead for further development. Two-way ANOVA analysis showed no statistically significant difference in antibacterial activity among the tested compounds (p = 0.891) or bacterial strains (p = 0.431), indicating a uniform response. However, Tukey’s HSD test confirmed no compound significantly outperformed ciprofloxacin.