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Structural investigations of CXCR2 receptor antagonists by CoMFA, CoMSIA and flexible docking studies Cover

Structural investigations of CXCR2 receptor antagonists by CoMFA, CoMSIA and flexible docking studies

Acta Pharmaceutica
Volume 62 (2012): Issue 3 (September 2012)
By: ,  ,   and    
Open Access
|Nov 2012
References

References

  1. 1. A. Zlotnik and O. Yoshie, Chemokines: a new classification system and their role in immunity,(2000) 121-127; DOI: 10.1016/S1074-7613(00)80165-X.
    Open DOISearch in Google Scholar
  2. 2. L. Yang, C. Zhou, L. Guo, G. Morriello, G. Butora, A. Pasternak, W. H. Parsons, S. G. Mills, M. MacCoss, P. P. Vicario, H. Zweerink, J. M. Avala, S. Goval, W. A. Hanlon, M. A. Cascieri and M. S. Springer, Discovery of 3,5-bis(trifluoromethyl) benzyl L-arylglycinamide based potent CCR2 antagonists,(2006) 3735-3739; DOI: 10.1016/j.bmcl.2006.04.045.
    Open DOISearch in Google Scholar
  3. 3. J. A. Belperio, M. P. Keane, D. A. Arenberg, C. L. Addison, J. E. Ehlert, M. D. Burdick and R. M. Strieter, CXC chemokines in angiogenesis,.(2000) 1-8.
    Open DOISearch in Google Scholar
  4. 4. P. Loetscher, M. Seitz, I. Clark-Lewis, M. Baggiolini and B. Moser, Both interleukin-8 receptors independently mediate chemotaxis: Jurkat cells transfected with IL-8R1 or IL-8R2 migrate in response to IL-8, GROá and NAP-2,(1994) 187-192; DOI: 10.1016/0014-5793(94) 80454-0.
    Search in Google Scholar
  5. 5. J. C. Acosta, A. O’Loghlen, A. Banito, M. V. Guijarro, A. Augert, S. Raguz, M. Fumagalli, M. Da Costa, C. Brown, N. Popov, Y. Takatsu, J. Melamed, F. d’Adda di Fagagna, D. Bernard, E. Hernando and J. Gil, Chemokine signaling via the CXCR2 receptor reinforces senescence,(2008) 1006-1018; DOI: 10.1016/j.cell.2008.03.038.
    Open DOISearch in Google Scholar
  6. 6. J. Busch-Petersen, Small molecule antagonists of the CXCR2 and CXCR1 chemokine receptors as therapeutic agents for the treatment of inflammatory diseases,(2006) 1345-1352.
    Open DOISearch in Google Scholar
  7. 7. R. D. Cramer III, D. E. Patterson and J. D. Bunce, Comparative molecular-field analysis (COMFA). 1. Effect of shape on binding of steroids to carrier proteins,.(1988) 5959-5967; DOI: 10.1021/ja00226a005.
    Open DOISearch in Google Scholar
  8. 8. G. Klebe, U. Abraham and T. Mietzner, Molecular similarity indexes in a comparative-analysis (COMSIA) of drug molecules to correlate and predict their biological-activity,(1994) 4130-4146; DOI: 10.1021/jm00050a010.
    Open DOISearch in Google Scholar
  9. 9. B. W. McCleland, R. S. Davis, M. R. Palovich, K. L. Widdowson, M. L. Werner, M. Burman, J. J. Foley, D. B. Schmidt, H. M. Sarau, M. Rogers, K. L. Salyers, P. D.Gorycki, T. J. Roethke, G. J. Stelman, L. M. Azzarano, K. W. Ward and J. Busch-Petersen, Comparison of-diarylsquaramides and-diarylureas as antagonists of the CXCR2 chemokine receptor,(2007) 1713-1717; DOI: 10.1016/j.bmcl.2006.12.067.
    Open DOISearch in Google Scholar
  10. 10. C. Aki, J. Chao, J. A. Ferreira, M. P. Dwyer, Y. Yu, J. Chao, R. J. Merritt, G. Lai, M. Wu, R. W. Hipkin, X. Fan, W. Gonsiorek, J. Fosseta, D. Rindgen, J. Fine, D. Lundell, A. G. Taveras and P. Biju, Diaminocyclobutenediones as potent and orally bioavailable CXCR2 receptor antagonists: SAR in the phenolic amide region,(2009) 4446-4449; DOI: 10.1016/ j.bmcl.2009.05.049.
    Open DOISearch in Google Scholar
  11. 11. A. Fiser, R. K. Do and A. Sali, Modeling of loops in protein structures,(2000) 1753-1773; DOI: 10.1110/ps.9.9.1753.
    Open DOISearch in Google Scholar
  12. 12. R. A. Laskowski, J. A. Rullmannn, M. W. MacArthur, R. Kaptein and J. M. Thornton, AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR,(1996) 477-486; DOI: 10.1007/BF00228148.
    Open DOISearch in Google Scholar
  13. 13. M. Rarey, B. Kramer, G. Metz, T. Lengauer and G. Klebe, A fast flexible docking method using an incremental construction algorithm,(1996) 470-489; DOI: 10.1006/jmbi.1996. 0477.
    Search in Google Scholar
  14. 14. K. M. Gilbert, W. J. Skawinski, M. Misra, K. A. Paris, R. A. Buono, H. M. Deutsch and C. A. Venanzi, Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods,(2004) 719-738; DOI: 10.1007/s10822--004-7610-1.
    Search in Google Scholar
  15. 15. S. Wold, Cross-validatory estimation of the number of components in factor and principal components models,(1978) 397-405.
    Open DOISearch in Google Scholar
  16. 16. G. Klebe, The use of composite crystal-field environments in molecular recognition and the de novo design of protein ligands,(1994) 212-235; DOI: 10.1006/jmbi.1994.1223.
    Open DOISearch in Google Scholar
  17. 17. R. D. Cramer III, J. D. Bunce, D. E. Patterson and I. S. Frank, Crossvalidation, bootstrapping and partial least squares compared with multiple regression in conventional QSAR studies,(1988) 18-25; DOI: 10.1002/qsar.19880070105.
    Open DOISearch in Google Scholar
  18. 18. Y. Zhang and J. Skolnick, Scoring function for automated assessment of protein structure template quality,(2004) 702-710; DOI: 10.1002/prot.20264.
    Open DOISearch in Google Scholar
  19. 19. G. Melagraki, A. Afantitis, H. Sarimveis, P. A. Koutentis, J. Markopoulos and O. Igglessi-Markopoulou, Optimization of biarylpiperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening,(2007) 251-267; DOI: 10.1007/s10822-007-9112-4.
    Open DOISearch in Google Scholar
DOI: https://doi.org/10.2478/v10007-012-0029-7 | Journal eISSN: 1846-9558 | Journal ISSN: 1330-0075
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Language: English, Croatian, Slovenian
Page range: 287 - 304
Published on: Nov 6, 2012
Published by: Croatian Pharmaceutical Society
In partnership with: Paradigm Publishing Services
Keywords:
CXCR2,
homology modeling,
CoMFA,
CoMSIA,
PLS,
docking
Related subjects:
Pharmacy,
Pharmacy, other

© 2012 Shravan Kumar Gunda, Rohith Kumar Anugolu, Sri Ramya Tata, Saikh Mahmood, published by Croatian Pharmaceutical Society
This work is licensed under the Creative Commons License.

Volume 62 (2012): Issue 3 (September 2012)
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