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Petra, Osiris and Molinspiration (POM) together as a successful support in drug design: antibacterial activity and biopharmaceutical characterization of some azo Schiff bases

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Abstract

Herein, we report the design and calculated molecular properties of ten existing azo Schiff bases 5ah and 7a, b. On the basis of a hypothetical antibacterial pharmacophore, the structures are designed to interact with Gram-positive and Gram-negative bacteria. The in vitro biological evaluation of these compounds allowed us to point out new potential non-nucleoside hits, with MIC values in the range of 2–8 μg/ml active against Staphylococcus aureus and Bacillus subtilis. In contrast to Gram positive strains, no activity is noted in favor of Gram negative strains (Klebsiella pneumonia, Pseudomonas aeruginosa and Escherichia coli). The antibacterial activity of these azo Schiff bases is discussed on the basis of theoretical calculations by using Petra, Osiris and Molinspiration (POM) model.

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Petra, Osiris and Molinspiration (POM) together as a successful support in drug design: antibacterial activity and biopharmaceutical characterization of some azo schiff bases.

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Notes

  1. http://www2.chemie-unierlangen.de/services/.

  2. http://www.organic-chemistry.org/prog/peo/.

  3. http://www.molinspiration.com/services/.

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Acknowledgments

The authors thank the Shiraz University Research Council for financial support (Grant No. 87-GR-SC-23). We would like to thank the ACTELION; the Biopharmaceutical Company of Swiss, for the on-line molecular properties calculations.

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Correspondence to Taibi Ben Hadda or Javed Sheikh.

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Jarrahpour, A., Fathi, J., Mimouni, M. et al. Petra, Osiris and Molinspiration (POM) together as a successful support in drug design: antibacterial activity and biopharmaceutical characterization of some azo Schiff bases. Med Chem Res 21, 1984–1990 (2012). https://doi.org/10.1007/s00044-011-9723-0

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