Norfloxacin derivatives as DNA gyrase and urease inhibitors: synthesis, biological evaluation and molecular docking.
Breena AwanMohsin Abbas KhanIrshad AhmadAnum MasoodAsim RazaSaharish KhaliqFarhat UllahJaved AhmedMuhammad Rizwan KhanPublished in: Future medicinal chemistry (2023)
Background: DNA gyrase and urease enzymes are important targets for the treatment of gastroenteritis, appendicitis, tuberculosis, urinary tract infections and Crohn's disease. Materials & methods: Esterification of norfloxacin was performed to enhance DNA gyrase and urease enzyme inhibition potential. Structure elucidation and chemical characterization were done through spectral ( 1 H NMR, Fourier transform IR, 13 C NMR) and carbon, hydrogen, nitrogen and sulfur analysis along with molecular docking. Results & conclusion: The majority of derivatives exhibited significant results but the 3e derivative showed maximum bactericidal, DPPH scavenging (96%), DNA gyrase and urease enzyme inhibitory activity with IC 50 of 0.15 ± 0.24 and 1.14 ± 0.11 μM respectively which was further supported by molecular docking studies. So, the active derivatives can serve as a lead compound for the treatment of various pathological conditions.
Keyphrases
- molecular docking
- circulating tumor
- molecular dynamics simulations
- cell free
- single molecule
- magnetic resonance
- urinary tract infection
- high resolution
- emergency department
- magnetic resonance imaging
- risk assessment
- hiv aids
- solid state
- combination therapy
- mass spectrometry
- human immunodeficiency virus
- human health
- water soluble