Table of Contents Author Guidelines Submit a Manuscript
International Journal of Medicinal Chemistry
Volume 2012, Article ID 452325, 13 pages
http://dx.doi.org/10.1155/2012/452325
Research Article

Pharmacophore Modelling and 3D-QSAR Studies on N 𝟑 -Phenylpyrazinones as Corticotropin-Releasing Factor 1 Receptor Antagonists

Institute of Pharmaceutical Sciences, Kurukshetra University, Haryana, Kurukshetra 136119, India

Received 17 January 2012; Accepted 27 March 2012

Academic Editor: Armando Rossello

Copyright © 2012 Paramjit Kaur 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.

Linked References

  1. M. R. Dimatteo, H. S. Lepper, and T. W. Croghan, “Depression is a risk factor for noncompliance with medical treatment meta-analysis of the effects of anxiety and depression on patient adherence,” Archives of Internal Medicine, vol. 160, no. 14, pp. 2101–2107, 2000. View at Google Scholar · View at Scopus
  2. C. G. Beevers, “Cognitive vulnerability to depression: a dual process model,” Clinical Psychology Review, vol. 25, no. 7, pp. 975–1002, 2005. View at Publisher · View at Google Scholar · View at Scopus
  3. E. P. Zorrilla and G. F. Koob, “Progress in corticotropin-releasing factor-1 antagonist development,” Drug Discovery Today, vol. 15, no. 9-10, pp. 371–383, 2010. View at Publisher · View at Google Scholar · View at Scopus
  4. R. A. Hartz, V. T. Ahuja, W. D. Schmitz et al., “Synthesis and structure-activity relationships of N3-pyridylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists,” Bioorganic and Medicinal Chemistry Letters, vol. 20, no. 6, pp. 1890–1894, 2010. View at Publisher · View at Google Scholar · View at Scopus
  5. X. Han, S. S. Pin, K. Burris et al., “Synthesis and structure-activity relationship of imidazo[1,2-a] benzimidazoles as corticotropin-releasing factor 1 receptor antagonists,” Bioorganic & Medicinal Chemistry Letters, vol. 15, no. 18, pp. 4029–4032, 2005. View at Publisher · View at Google Scholar · View at Scopus
  6. R. A. Hartz, V. T. Ahuja, A. G. Arvanitis et al., “Synthesis, structure-activity relationships, and in vivo evaluation of N3-phenylpyrazinones as novel corticotropin-releasing factor-1 (CRF1) receptor antagonists,” Journal of Medicinal Chemistry, vol. 52, no. 14, pp. 4173–4191, 2009. View at Publisher · View at Google Scholar · View at Scopus
  7. O. F. Guner, Pharmacophore Perception, Development and Use in Drug Design, International University Line, San Diego, Calif, USA, 2000.
  8. PHASE, Version 3.0, Schrödinger, LLC, New York, NY, USA, 2008.
  9. S. L. Dixon, A. M. Smondyrev, E. H. Knoll, S. N. Rao, D. E. Shaw, and R. A. Friesner, “PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening—1. Methodology and preliminary results,” Journal of Computer-Aided Molecular Design, vol. 20, no. 10-11, pp. 647–671, 2006. View at Publisher · View at Google Scholar · View at Scopus
  10. S. L. Dixon, A. M. Smondyrev, and S. N. Rao, “PHASE: a novel approach to pharmacophore modeling and 3D database searching,” Chemical Biology and Drug Design, vol. 67, no. 5, pp. 370–372, 2006. View at Publisher · View at Google Scholar · View at Scopus
  11. Maestro, Version 8.5, Schrödinger, LLC, New York, NY, USA, 2008.
  12. Ligprep 2.0, Schrodinger, LLC, New York, NY, USA, 2010.
  13. G. A. Kaminski, R. A. Friesner, J. Tirado-Rives, and W. L. Jorgensen, “Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides,” Journal of Physical Chemistry B, vol. 105, no. 28, pp. 6474–6487, 2001. View at Publisher · View at Google Scholar · View at Scopus
  14. N. D. Amnerkar and K. P. Bhusari, “Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole,” European Journal of Medicinal Chemistry, vol. 45, no. 1, pp. 149–159, 2010. View at Publisher · View at Google Scholar · View at Scopus
  15. D. A. Evans, T. N. Doman, D. A. Thorner, and M. J. Bodkin, “3D QSAR methods: phase and catalyst compared,” Journal of Chemical Information and Modeling, vol. 47, no. 3, pp. 1248–1257, 2007. View at Publisher · View at Google Scholar · View at Scopus
  16. B. D. Boyd, “Successes of computer-assisted molecular design,” in Reviews in Computational Chemistry, vol. 4, pp. 355–371, VCH, New York, NY, USA, 1990. View at Google Scholar
  17. H. Dureja, V. Kumar, S. Gupta, and A. K. Madan, “Topochemical models for the prediction of lipophilicity of 1,3-disubstituted propan-2-one analogs,” Journal of Theoretical and Computational Chemistry, vol. 6, no. 3, pp. 435–448, 2007. View at Publisher · View at Google Scholar · View at Scopus
  18. S. Wold, “Validation of QSAR’s,” Quantitative Structure-Activity Relationships, vol. 10, no. 3, pp. 191–193, 1991. View at Google Scholar