Genomics Inform.  2018 Sep;16(3):44-51. 10.5808/GI.2018.16.3.44.

Antibacterial and Pharmacological Evaluation of Fluoroquinolones: A Chemoinformatics Approach

• Sood D
• Kumar N
• Singh A
• Sakharkar
• Tomar V
• Chandra R

• KMID: 2422811
• DOI: http://doi.org/10.5808/GI.2018.16.3.44

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.

Keyword

antibacterial; chemoinformatics; fluoroquinolones; pharmacological

MeSH Terms

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
Anti-Bacterial Agents
Ciprofloxacin
DNA Gyrase
Fluoroquinolones
Norfloxacin
Ofloxacin