Design, Synthesis and Docking Studies of a Novel

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ISSN: 0973-4945; CODEN ECJHAO E-Journal of Chemistry 2012, 9(2), 980-987

Design, Synthesis and Docking Studies of a Novel Ciprofloxacin Analogue as an Antimicrobial AGENT
S.JUBIE*, R. KALIRAJAN and PAVANKUMAR YADAV, Department of Pharmaceutical Chemistry J.S.S. College of Pharmacy, off campus - JSS University, Mysore jubiejawahar@gmail.com Received 31 July 2011; Accepted 4 October 2011 Abstract: The carboxylic acid group of ciprofloxacin was modified and amino mercapto triazole was substituted. The compound was confirmed by physical parameters (solubility, melting point), chromatographic methods (TLC) and consistent with its IR & 1HNMR spectra. The synthesized analogue was screened for antibacterial activity against one gram positive & two gram negative species. The compound exhibited good antibacterial effect towards gram negative species when compared to the standard ciprofloxacin. At the same time the analogue was retaining antibacterial activity towards gram positive species when compared to standard ciprofloxacin. The molecular docking studies showed a good correlation between their antibacterial activity and autodock binding free energy. Keywords: Ciprofloxacin, 1,2,4-Triazole, Molecular docking, Antimicrobial

Introduction
Quinolones have become a major class of antibacterial agents, which are under extensive clinical development. They have an attraction because of their extremely potent activity, rapid bactericidal effects and low incidence of resistance development1. The main disadvantage of the quinolones is their limited activity against gram positive pathogens and methicillin-resistant Staphylococcus aureus (MRSA)2. In addition, quinolones can cause certain adverse effects, such as CNS effects, phototoxicity, tendonitis, hypoglycemia, and serious cardiac dysrhythmias3-4. Thus, despite many advances in the fluoroquinolone field, there exists continuous need for novel quinolones with better activity profile, pharmacokinetics and



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