Affinity prediction on A1 adenosine receptor agonists: The chemometric approach

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 5, 2006, Pages 1348-1363

  Fossa, Paola ^a   Mosti, Luisa ^a   Bondavalli, Francesco ^a   Schenone, Silvia ^a   Ranise, Angelo ^a   Casolino, Chiara ^a   Forina, Michele ^a  

^a UNIVERSITY OF GENOA   (Italy)

Author keywords

A1 adenosine agonists; Chemometric approach; QSAR

Indexed keywords

ADENOSINE; ADENOSINE A1 RECEPTOR; ADENOSINE A1 RECEPTOR AGONIST; DRUG DERIVATIVE; LIGAND;

ARTICLE; BINDING AFFINITY; BINDING KINETICS; CHEMOMETRIC ANALYSIS; DRUG MECHANISM; DRUG RECEPTOR BINDING; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING; DRUG POTENTIATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; STATISTICAL MODEL;

ADENOSINE; LIGANDS; MODELS, STATISTICAL; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, ADENOSINE A1;

EID: 31044456595     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.09.058     Document Type: Article

References (32)

1. B.B. Fredholm, A.P. Ijzerman, K.A. Jacobson, K.N. Klotz, and J. Linden Pharmacol. Rev. 53 2001 527 552
2. J.A. Ribeiro, A.M. Sebastião, and A. de Mendonça Prog. Neurobiol. 68 2002 377 392
3. F. Bondavalli, M. Botta, O. Bruno, A. Ciacci, F. Corelli, P. Fossa, A. Lucacchini, F. Manetti, C. Martini, G. Menozzi, L. Mosti, A. Ranise, S. Schenone, A. Tafi, and M.L. Trincavelli J. Med. Chem. 45 2002 4875 4887
4. F. Giordanetto, P. Fossa, G. Menozzi, S. Schenone, F. Bondavalli, A. Ranise, and L. Mosti J. Comput. Aided Mol. Des. 17 2003 39 51
5. C.E. Muller Curr. Med. Chem. 7 2000 1269 1288
6. L.J.S. Knutsen, J. Lau, H. Petersen, C. Thomsen, J.U. Weis, M. Shalmi, M.E. Judge, A.J. Hansen, and M.J. Sheardown J. Med. Chem. 42 1999 3463 3477
7. Spada, A.; Fink, C. A.; Myers, M. R. U.S.P 5,364,862; 1994.
8. DRAGON 2.1. 〈 http://www.talete.mi.it 〉, Todeschini, R; Consonni, V; Mauri, A; Pavan, M. Milano Chemometrics and QSAR Research Group.
9. Forina, M; Lanteri, S; Armanino, C. Q-PARVUS, An Extendable Package of Programs for Explorative Data Analysis, Classification and Regression Analysis, Dip. Chimica e Tecnologie Farmaceutiche, University of Genova, Italy. Available (free, with manual and examples) at 〈 http://www.parvus.unige.it 〉.
10. Forina, M; Lanteri, S; Armanino, C; Cerrato Oliveros, C; Casolino, C. V-PARVUS Release 1.0, An Extendable Package of Programs for Explorative Data Analysis, Classification and Regression Analysis, Dip. Chimica e Tecnologie Farmaceutiche, University of Genova, Italy. Available free, with manual and examples, at 〈 http://www.parvus.unige.it 〉, 2003.
11. Spartan ′O2, 〈 http://www.wavefun.com 〉.
12. D.L. Massart, B.G.M. Vandeginste, L.M.C. Buydens, S. De Jong, P.J. Lewi, and J. Smeyers-Verbeke Handbook of Chemometrics and Qualimetrics 1998 Elsevier Amsterdam
13. I.E. Frank, and R. Todeschini The Data Analysis Handbook 1994 Elsevier Amsterdam
14. M. Forina, C. Casolino, and C. Pizarro Millan J. Chemometr. 13 1999 165 184
15. R. Boggia, M. Forina, P. Fossa, and L. Mosti Quant. Struct.-Act. Relat. 16 1997 201 213
16. V. Centner, D.L. Massart, O.E. de Noord, S. de Jong, B.M. Vandeginste, and C. Sterna Anal. Chem. 68 1996 3851 3858
17. M. Baroni, G. Costantino, G. Cruciani, D. Riganelli, R. Valigi, and S. Clementi Quant. Struct.-Act. Relat. 12 1993 9 20
18. http://www.miasrl.com/software/golpe/manual/background.html.
19. L. Breiman, and J.H. Friedman J. Am. Stat. Assoc. 80 1985 580 619
20. D.L. Massart, and L. Kaufman The Interpretation of Analytical Chemical Data by the Use of Cluster Analysis 1983 Wiley & Sons NewYork (NY)
21. D. Wishart Comput. Sci. Stat. 29 1998 48 51
22. C.B. Lucasius, and G. Kateman TRAC-Trend Anal. Chem. 10 1991 254 281
23. R. Leardi, R. Boggia, and M. Terrile J. Chemometr. 6 1992 267 281
24. H. Ojelund, H. Madsen, and P. Thyregod J. Chemometr. 15 2001 497 509
25. R.W. Kennard, and L.A. Stone Technometrics 11 1969 137 148
26. H.F. Kaiser Educ. Psychol. Meas. 20 1960 141 151
27. C. McMartin, and R. Bohacek J. Comput. Aided Mol. Des. 11 1997 333 344
28. J.R.H. Tame J. Comput. Aided Mol. Des. 131 1999 99 108
29. V. Consonni, R. Todeschini, and M. Pavan J. Chem. Inf. Comput. Sci. 42 2002 682 692
30. V. Consonni, R. Todeschini, M. Pavan, and P. Gramatica J. Chem. Inf. Comput. Sci. 42 2002 693 705
31. M.C. Hemmer, V. Steinhauer, and J. Gasteiger Vib. Spectrosc. 19 1999 151 164
32. M.P. González, C. Terán, Y. Fall, Teijeira, and P. Besada Bioorg. Med. Chem. 13 2005 601 608