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

Bhatia, Neela M., Mahadik, Kakasaheb R. and Bhatia, Manish S. QSAR analysis of 1,3-diaryl-2-propen-1-ones and their indole analogs for designing potent antibacterial agents Chemical Papers, Vol.63, No. 4, 2009, 456-463

Document type: ńĆl√°nok z ńćasopisu / Journal Article
Collection: Chemical papers  

Author(s) Bhatia, Neela M.
Mahadik, Kakasaheb R.
Bhatia, Manish S.
Title QSAR analysis of 1,3-diaryl-2-propen-1-ones and their indole analogs for designing potent antibacterial agents
Journal name Chemical Papers
Publication date 2009
Year available 2009
Volume number 63
Issue number 4
ISSN 0366-6352
Start page 456
End page 463
Place of publication Poland
Publisher Versita
Collection year 2009
Language english
Subject 250000 Chemical Sciences
250300 Organic Chemistry
Abstract/Summary 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.
 
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