Synthesis, Identification and Molecular Docking Evaluation of Novel Sulfonamide-Levofloxacin Targeting Pseudomonas aeruginosa
TL;DR
Levofloxacin showed the highest binding energy (–12.522 kcal/mol), while the methyl and nitro analogs exhibited favorable hydrogen bonding with GLU474, GLU475, and ARG456, indicating promising antibacterial potential.
Abstract
Background: Pseudomonas aeruginosa is a Gram-negative rod-shaped bacterium that can be found in diverse environments and causes severe infections in immunocompromised patients and burn victims. Because of its extensive antibiotic resistance, effective eradication of Pseudomonas aeruginosa is still a significant therapeutic issue. Objective: This study was to improve the bactericidal activity of levofloxacin through structural modification. Methodology: Fifty clinical samples were collected. From May 2025 to August 2025, 50 samples were taken from Al-Yarmouk Hospital, including urine, mouth, and wound samples. Sixteen of these were identified as P. aeruginosa. Levofloxacin and its synthetic derivatives were assayed against these isolates at concentrations of 25, 50, and 100 μg/mL. A new series of sulfonamide derivativesA1,B1 were synthesized using the levofloxacin scaffold through the Hinsberg reaction and characterized using FT-IR and ¹H-NMR. Results: Molecular docking results showed strong binding affinities of the derivatives toward bacterial topoisomerase. Conclusion: Levofloxacin showed the highest binding energy (–12.522 kcal/mol), while the methyl and nitro analogs exhibited favorable hydrogen bonding with GLU474, GLU475, and ARG456, indicating promising antibacterial potential. Bangladesh Journal of Infectious Diseases, June 2026;13(1):308-318