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International Journal of Medicinal Chemistry
Volume 2017 (2017), Article ID 6873924, 14 pages
Research Article

Synthesis, Antimicrobial, and Computational Evaluation of Novel Isobutylchalcones as Antimicrobial Agents

1A.U. College of Pharmaceutical Sciences, Andhra University, Visakhapatnam, Andhra Pradesh 53000, India
2Vignan Pharmacy College, Vadlamudi, Andhra Pradesh 522213, India
3Victoria College of Pharmacy, Nallapadu, Andhra Pradesh 522001, India

Correspondence should be addressed to Afzal Basha Shaik

Received 31 August 2017; Accepted 12 November 2017; Published 26 December 2017

Academic Editor: Graham B. Jones

Copyright © 2017 Afzal Basha Shaik et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


A series of 25 new chalcones were synthesized by Claisen-Schmidt condensation, well characterized by spectroscopic data, and evaluated for their antibacterial and antifungal activities by serial tube dilution method. Among the compounds tested, A3 and A6 containing 2,4-dichlorophenyl and 2,4-difluorophenyl moiety, respectively, were found to be the most potent in the series against both bacterial and fungal strains with a MIC value of 16 µg/mL in each case. Further computational evaluation for antimicrobial activity was performed by atom based 3D-QSAR using PHASE™ software in order to have a correlation between the observed activities and predicted activities. The computational studies were in agreement with the in vitro antimicrobial results and had identified the most promising chalcones as antimicrobial agents and the responsible structural features for the proposed activity.