In silico directed chemical probing of the adenosine receptor family

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 9, 2010, Pages 3043-3052

  Areias, Filipe M ^a,b   Brea, Jose ^b   Gregori Puigjané, Elisabet ^c   Zaki, Magdi E A ^a   Carvalho, M Alice ^a   Domínguez, Eduardo ^b   Gutiérrez de Terán, Hugo ^b   Proença, M Fernanda ^a   Loza, María I ^b   Mestres, Jordi ^c  

^a UNIVERSITY OF MINHO   (Portugal)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^c INST MUNIC D INVESTIGACIO MEDICA   (Spain)

Author keywords

Adenosine antagonists; Chemogenomics; Computational chemical biology; Target profiling

Indexed keywords

1 CARBAMOYL 7 IMINO 6,7 DIHYDRO 3 (2' HYDROXYPHENYL) 6 (4'' HYDROXYPHENYL) IMIDAZO[1,5 E]IMIDAZOLE; 5 ETHYL 1 HYDROXY 3 [3 (VINYLOXY)PHENYL]IMIDAZO[5,1 A]PHTHALAZIN 6(5H) ONE; 6,7,8,9 TETRAHYDRO N (PYRIDIN 2 YL) 3 PARA TOLYL 5H IMIDAZO[1,5 A]AZEPINE 1 CARBOXAMIDE; 9 BENZYL 2 (4 METHYLPHENYL) 7,9 DIHYDRO 8H PURIN 8 ONE; ADENOSINE A1 RECEPTOR; ADENOSINE A2A RECEPTOR; ADENOSINE A2B RECEPTOR; ADENOSINE A3 RECEPTOR; ADENOSINE RECEPTOR; ADENOSINE RECEPTOR BLOCKING AGENT; UNCLASSIFIED DRUG;

ANIMAL CELL; ARTICLE; CHEMICAL COMPOSITION; COMPUTER MODEL; DRUG RECEPTOR BINDING; DRUG STRUCTURE; DRUG SYNTHESIS; HUMAN; HUMAN CELL; MOLECULAR PROBE; NONHUMAN; PROTEIN ANALYSIS; PROTEIN TARGETING;

CELL LINE; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DRUG DELIVERY SYSTEMS; HUMANS; RECEPTOR, ADENOSINE A2B; RECEPTOR, ADENOSINE A3; RECEPTORS, PURINERGIC P1; SMALL MOLECULE LIBRARIES;

EID: 77951207302     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.03.048     Document Type: Article

References (28)

1. Schreiber S.L. Nat. Chem. Biol. 1 (2005) 64
2. Krejsa C.M., Horvath D., Rogalski S.L., Penzotti J.E., Mao B., Barbosa F., and Migeon J.C. Curr. Opin. Drug Discov. Devel. 6 (2003) 470
3. Whitebread S., Hamon J., Bojanic D., and Urban L. Drug Discovery Today 10 (2005) 1421
4. Karaman M.W., Herrgard S., Treiber D.K., Gallant P., Atteridge C.E., Campbell B.T., Chan K.W., Ciceri P., Davis M.I., Edeen P.T., Faraoni R., Floyd M., Hunt J.P., Lockhart D.J., Milanov Z.V., Morrison M.J., Pallares G., Patel H.K., Pritchard S., Wodicka L.M., and Zarrinkar P.P. Nat. Biotechnol. 26 (2008) 127
5. Austin C.P., Brady L.S., and Collins F.S. Science 306 (2004) 1138
6. Jensen N.H., and Roth B.L. Comb. Chem. High Throughput Screening 11 (2008) 420
7. Wishart D.S., Knox C., Guo A.C., Cheng D., Shrivastava S., Tzur D., Gautam B., and Hassanali M. Nucleic Acids Res. 36 (2008) D901
8. Harmar A.J., Hills R.A., Rosser E.M., Jones M., Buneman O.P., Dunbar D.R., Greenhill S.D., Hale V.A., Sharman J.L., Bonner T.I., Catterall W.A., Davenport A.P., Delagrange P., Dollery C.T., Foord S.M., Gutman G.A., Laudet V., Neubig R.R., Ohlstein E.H., Olsen R.W., Peters J., Pin J.P., Ruffolo R.R., Searls D.B., Wright M.W., and Spedding M. Nucleic Acids Res. 37 (2009) D680
9. Liu T., Lin Y., Wen X., Jorissen R.N., and Gilson M.K. Nucleic Acids Res. 35 (2007) D198
10. Berman H.M., Westbrook J., Feng Z., Gilliland G., Bhat T.N., Weissig H., Shindyalov I.N., and Bourne P.E. Nucleic Acids Res. 28 (2000) 235
11. Jenkins J.L., Bender A., and Davies J.W. Drug Discovery Today: Technol. 3 (2006) 413
12. Ekins S., Mestres J., and Testa B. Br. J. Pharmacol. 152 (2007) 9
13. Jenwitheesuk E., Horst J.A., Rivas K.L., van Voorhis W.C., and Samudrala R. Trends Pharmacol. Sci. 29 (2008) 62
14. Keiser M.J., Roth B.L., Armbruster B.N., Ernsberger P., Irwin J.J., and Shoichet B.K. Nat. Biotechnol. 25 (2007) 197
15. Plouffe D., Brinker A., McNamara C., Henson K., Kato N., Kuhen K., Nagle A., Adrián F., Matzen J.T., Anderson P., Nam T.G., Gray N.S., Chatterjee A., Janes J., Yan S.F., Trager R., Caldwell J.S., Schultz P.G., Zhou Y., and Winzeler E.A. Proc. Natl. Acad. Sci. U.S.A. 105 (2008) 9059
16. Muller P., Lena G., Boilard E., Bezzine S., Lambeau G., Guichard G., and Rognan D. J. Med. Chem. 49 (2006) 6768
17. Rollinger J.M., Schuster D., Danzl B., Schwaiger S., Markt P., Schmidtke M., Gertsch J., Raduner S., Wolber G., Langer T., and Stuppner H. Planta Med. 75 (2009) 195
18. Gregori-Puigjané E., and Mestres J. Comb. Chem. High Throughput Screening 11 (2008) 669
19. Jacobson K.A., and Gao Z.G. Nat. Rev. Drug Disc. 5 (2006) 247
20. Haskó G., Linden J., Cronstein B., and Pacher P. Nat. Rev. Drug Disc. 7 (2008) 759
21. Baraldi P.G., Tabrizi M.A., Gessi S., and Borea P.A. Chem. Rev. 108 (2008) 238
22. Gregori-Puigjané E., and Mestres J. J. Chem. Inf. Model. 46 (2006) 1615
23. Lipinski C.A. Drug Discovery Today: Technol. 1 (2004) 337
24. Muir T.W. ACS Chem. Biol. 4 (2009) 241
25. Roth B.L., Lopez E., Beischel S., Westkaemper R.B., and Evans J.M. Pharmacol. Ther. 102 (2004) 99
26. Mestres J., Martin-Couce L., Gregori-Puigjané E., Cases M., and Boyer S. J. Chem. Inf. Model. 46 (2006) 2725
27. Booth B.L., Dias A.M., and Proença M.F. J. Chem. Soc., Perkin Trans. I (1992) 2119
28. Booth B.L., Dias A.M., Proença M.F., and Zaki M.E.A. J. Org. Chem. 66 (2001) 8436