In silico prediction of human plasma protein binding using hologram QSAR

Letters in Drug Design and Discovery

Volumn 4, Issue 7, 2007, Pages 502-509

  Moda, Tiago L ^a   Montanari, Carlos A ^a   Andricopulo, Adriano D ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

ADME; Drug design; Pharmacokinetics; Plasma protein binding; QSAR

Indexed keywords

PLASMA PROTEIN;

ARTICLE; COMPUTER MODEL; DRUG DESIGN; HUMAN; PREDICTOR VARIABLE; PRIORITY JOURNAL; PROTEIN BINDING; STATISTICAL MODEL; STATISTICAL PARAMETERS; STRUCTURE ACTIVITY RELATION;

EID: 35349020941     PISSN: 15701808     EISSN: None     Source Type: Journal    
DOI: 10.2174/157018007781788480     Document Type: Article

References (26)

1. O'Brien, S. E.; de Groot, M. J. J. Med. Chem., 2005, 48, 1287.
2. Mager, D. E. Adv. Drug Deliv. Rev., 2006, 58, 1326.
3. van de Waterbeemd, H.; Gifford, E. Nat. Rev. Drug Discov., 2003, 2, 192.
4. Lombardo, F.; Gifford, E.; Shalaeva, M. Mini-Rev. Med. Chem., 2003, 3, 861.
5. Saunders, K. C. Drug Discov. Today, 2004, 1, 373.
6. Ekins, S.; Wrighton, S. A. J. Pharmacol. Toxicol. Methods, 2001, 45, 65.
7. Cai, H.; Stoner, C.; Reddy, A.; Freiwald, S.; Smith, D.; Winters, R.; Stankovic, C.; Surendran, N. Int. J. Pharm., 2006, 308, 133.
8. Aureli, L.; Cruciani, G.; Mariconi, A. J. Med. Chem., 2005, 48, 2469.
9. Kratochwil, N. A.; Gerber, P. R. Biochem. Pharmacol., 2002, 64, 1355.
10. Leitão, A.; Andricopulo, A. D.; Oliva, G.; Pupo, M. T.; de Marchi, A. A.; Vieira, P. C.; da Silva, M. F. G. F.; Ferreira, V. F.; de Souza, M. C. B. V.; Sa, M. M.; Moraes, V. R. S.; Montanari, C. A. Bioorg. Med. Chem. Lett., 2004, 14, 2199.
11. Yoshida, F.; Topliss, J. G. J. Med. Chem., 2000, 43, 2575.
12. Hansch, C.; Kurup, A.; Garg, R.; Gao, H. Chem. Rev., 2001, 101, 619.
13. Hansch, C.; Leo, A.; Mekapati, S. B.; Kurup, A. Bioorg. Med. Chem., 2004, 12, 3391.
14. Jónsdóttir, S. Ó.; Jorgensen, F. S.; Brunak, S. Bioinformatics, 2005, 21, 2145.
15. th ed.; Thomson, 2005.
16. th ed.; McGraw-Hill: United States of America, 2001; pp 1924.
17. HQSAR™ Manual Release in SYBYL 7.3, Tripos Inc., St. Louis, MO, 2007.
18. Honorio, K. M.; Garratt, R. C.; Polikarpov, I.; Andricopulo. A. D. Lett. Drug Des. Discov., 2006, 3, 261.
19. Castilho, M. S.; Postigo, M. P.; de Paula, C. B. V.; Montanari, C. A.; Oliva, G.; Andricopulo, A. D. Bioorg. Med. Chem., 2006, 14, 516.
20. Honorio, K. M.; Garratt, R. C.; Andricopulo, A. D. Bioorg. Med. Chem. Lett., 2005, 15, 3119.
21. Salum, L. B.; Polikarpov, I.; Andricopulo, A. D. J. Mol. Graph. Model., 2007, 25, doi:10.1016/j.jmgm.2007.02.001
22. Castilho, M. S.; Guido, R. V. C.; Andricopulo, A. D. Lett. Drug Des. Discov., 2007, 4, 106.
23. Saiakhov, R. D.; Stefan, L. R.; Klopman, G. Perspec. Drug Disc. Des., 2000, 19, 133.
24. Lobell, M.; Sivarajah, V. Mol. Divers., 2003, 7, 69.
25. Wang, J.; Krudy, G.; Xie, X. Q.; Wu, C.; Holland, G. J. Chem. Inf. Model, 2006, 46, 2674.
26. Gleeson, M. P. J. Med. Chem., 2007, 50, 101.