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QSAR analysis of 1,3-diaryl-2-propen-1-ones and their indole analogs for designing potent antibacterial agents

Neela M. Bhatia, Kakasaheb R. Mahadik, and Manish S. Bhatia

Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, 416013, (MS), India



Received: 29 May 2008  Revised: 24 November 2008  Accepted: 3 December 2008

Abstract: A series of 1,3-diaryl-2-propen-1-ones and their indole analogs were synthesized and evaluated for antibacterial activity. Structures of newly synthesized compounds were confirmed by physicochemical, spectral and elemental analysis. All the compounds were screened for their antibacterial activities against four different bacterial strains. The QSAR studies were performed using Vlife MDS 3.5 software. QSAR equation revealed that selected electronic, steric and lipophilic parameters have good correlation with antibacterial activity. Best equations were selected on basis of the correlation coefficient (r 2) and the predictable ability of the equations. The present findings suggest that the 1,3-diaryl-2-propen-1-ones framework is an attractive template for structure optimization to achieve higher potency, lower toxicity, and a wider spectrum of antibacterial activity.

Keywords: synthesis - prop-2-enones - antibacterial screening - QSAR

Full paper is available at

DOI: 10.2478/s11696-009-0026-6


Chemical Papers 63 (4) 456–463 (2009)

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