title: Synthesis, antibacterial evaluation and QSAR studies of 7-[4-(5-aryl-1,3,4-oxadiazole-2-yl)piperazinyl] quinolone derivatives.
abstract: A series of 7-[4-(5-aryl-1,3,4-oxadiazole-2-yl)piperazinyl] quinolones (I-XXI) were synthesized using an appropriate synthetic route and characterized by elemental and spectral analysis. The antibacterial activities of all the synthesized compounds were evaluated against identifiable bacterial strains. Compounds III, IV, VII, VIII, IX, X, XI, XV, &XVIII showed better activity than parent compound against all the selected strains. QSAR study on the synthesized molecules tested for their antibacterial activity was performed using multiple linear regression method. Generated models revealed a decrease in HOMO energy as favorable descriptor for determining and predicting the antibacterial activity of the synthesized compounds. Further, the developed models were cross validated using LOO method for their predictive nature.
authors.affiliation: Rajendra Institute of Technology and Sciences, 4th Milestone Hisar Road, Sirsa 125055, India.
authors.forename: Rajnish
authors.initials: R
authors.lastname: Kumar
authors.forename: Ashwani
authors.initials: A
authors.lastname: Kumar
authors.forename: Sandip
authors.initials: S
authors.lastname: Jain
authors.forename: Darpan
authors.initials: D
authors.lastname: Kaushik
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D010069:Oxadiazoles / Q000737:chemistry*; D010879:Piperazines / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D015363:Quinolones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D010069:Oxadiazoles; D010879:Piperazines; D015363:Quinolones