Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach.
- Author:
Damini SOOD
1
;
Neeraj KUMAR
;
Aarushi SINGH
;
Meena Kishore SAKHARKAR
;
Vartika TOMAR
;
Ramesh CHANDRA
Author Information
- Publication Type:Original Article
- Keywords: antibacterial; chemoinformatics; fluoroquinolones; pharmacological
- MeSH: Absorption; Anti-Bacterial Agents; Bacterial Infections; Ciprofloxacin; Computer Simulation; DNA Gyrase; Fluoroquinolones*; Humans; Lethal Dose 50; Metabolism; Norfloxacin; Ofloxacin; Tetrahymena pyriformis; Toxicity Tests; Veterinary Medicine
- From:Genomics & Informatics 2018;16(3):44-51
- CountryRepublic of Korea
- Language:English
- Abstract: Fluoroquinolone (FQ) antibiotics are an important class of synthetic antibacterial agents. These are the most extensively used drugs for treating bacterial infections in the field of both human and veterinary medicine. Herein, the antibacterial and pharmacological properties of four fluoroquinolones: lomefloxacin, norfloxacin, ciprofloxacin, and ofloxacin have been studied. The objective of this study was to analyze the antibacterial characteristics of the different fluoroquinolones. Also, the pharmacological properties of the compounds including the Lipinski rule of five, absorption, distribution, metabolism, and excretion, LD50, drug likeliness, and toxicity were evaluated. We found that among all four FQ molecules, ofloxacin showed the highest antibacterial activity through in silico assays with a strong interaction (−38.52 kJ/mol) with the antibacterial target protein (topoisomerase-II DNA gyrase enzyme). The pharmacological and pharmacokinetic analysis also showed that the compounds ciprofloxacin, ofloxacin, lomefloxacin and norfloxacin have good pharmacological properties. Notably, ofloxacin was found to possess an IGC50 (concentration needed to inhibit 50% growth) value of 0.286 μg/L against the Tetrahymena pyriformis protozoa. It also tested negative for the Ames toxicity test, showing its non-carcinogenic character.
