QSAR analysis of 1,3-diaryl-2-propen-1-ones and their indole analogs for designing potent antibacterial agents |
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Authors: | Neela M Bhatia Kakasaheb R Mahadik Manish S Bhatia |
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Institution: | (1) Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, 416013, (MS), India;(2) Department of Pharmaceutical Chemistry, Bharati Vidyapeeth Poona College of Pharmacy and Research, Pune, (MS), India |
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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. |
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Keywords: | synthesis prop-2-enones antibacterial screening QSAR |
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