Synthesis, Molecular docking and Antibacterial Evalution of some Novel N-4 Piperzinyl derivatives of 8-Methoxy Grepafloxacin

Abstract

Grepafloxacin, a fluroquinolones analogue has activity against a wide range of gram-negative and gram positive microorganisms by inhibiting the enzymes topoisomerase-II (DNA gyrase) and topoisomerase-IV which are required for bacterial DNA replication, transcription, repair and recombination. A series of 8-methoxy grepafloxacin derivatives were synthesized (P1-P10) Via N-Piperzinyl linkage. The structural conformation done by infra-red, nuclear magnetic resonance, mass spectrometry and elemental analysis technique. In present investigation, we screened docking stimulation for synthesized compounds (P1-P10) to find out binding modes of derivatives with 3FV5 and 3IMW. The compound P5 showed good antibacterial activity against gram positive (S. Aureus) and compound P3 and P6 showed good antibacterial activity against gram negative (E. Coli) in comparison with standard drugs (Ciprofloxacin and Grepafloxacin). The Zone of inhibition and MIC studies performed to synthesized compounds. The correlation between experimental data (minimum inhibition concentration) verses docking score suggest that penetration for docking simulation are mild in reproducing experimental orientation of these synthesized compounds.