Leveraging structural approaches: Applications of NMR-based screening and X-ray crystallography for Inhibitor design

Journal of Synchrotron Radiation

Volumn 11, Issue 1, 2004, Pages 97-100

  Moor, Jonathan ^a   Abdul Manan, Norzehan ^a   Fejzo, Jasna ^a   Jacobs, Marc ^a   Lepre, Chriastopher ^a   Pang, Jeffrey ^a   Xie, Xiaoling ^a  

^a Vertex Pharmaceuticals   (United States)

Author keywords

Drug design; NMR based screening; X ray crystallography

Indexed keywords

BIOASSAY; CONFORMATIONS; CRYSTAL STRUCTURE; METABOLISM; MOLECULAR WEIGHT; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; X RAY CRYSTALLOGRAPHY;

BIOPHYSICAL METHODS; DRUG DESIGN; HIGH-THROUGHPUT SCREENING (HTS); NMR-BASED SECREENING;

DRUG PRODUCTS;

CARRIER PROTEIN; DRUG; DRUG DERIVATIVE; FATTY ACID BINDING PROTEIN; MITOGEN ACTIVATED PROTEIN KINASE; MITOGEN ACTIVATED PROTEIN KINASE 10; PEPTIDE LIBRARY; PROTEIN TYROSINE KINASE; RESCINNAMINE; RESERPINE; TUMOR PROTEIN;

ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN ENGINEERING; SYNTHESIS; SYSTEM ANALYSIS; ULTRASTRUCTURE; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CARRIER PROTEINS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; FATTY ACID-BINDING PROTEINS; MAGNETIC RESONANCE SPECTROSCOPY; MITOGEN-ACTIVATED PROTEIN KINASE 10; MITOGEN-ACTIVATED PROTEIN KINASES; NEOPLASM PROTEINS; PEPTIDE LIBRARY; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEIN ENGINEERING; PROTEIN INTERACTION MAPPING; PROTEIN-TYROSINE KINASES; RESERPINE; SYSTEMS INTEGRATION;

EID: 2142690682     PISSN: 09090495     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0909049503023975     Document Type: Article

References (28)

1. Bemis, G. W., & Murcko, M. A. (1996). J. Med. Chem. 39, 2887-93.
2. Bemis, G. W., & Murcko, M. A. (1999). J. Med. Chem. 42, 5095-9.
3. Bruckner, S. R., Tammariello, S. P., Kuan, C. Y., Flavell, R. A., Rakic, P., & Estus, S. (2001). J. Neurochem. 78, 298-303.
4. Charifson, P. S., Corkery, J. J., Murcko, M. A., & Walters, W. P. (1999). J Med Chem 42, 5100-9.
5. Dalvit, C., Fasolini, M., Flocco, M., Knapp, S., Pevarello, P., & Veronesi, M. (2002a). J Med Chem 45, 2610-4.
6. Dalvit, C., Flocco, M., Knapp, S., Mostardini, M., Perego, R., Stockman, B. J., Veronesi, M., & Varasi, M. (2002b). J Am Chem Soc 124, 7702-9.
7. Davis, R. J. (2000). Cell 103, 239-52.
8. Fejzo, J., Lepre, C. A., Peng, J. W., Bemis, G. W., Ajay, Murcko, M. A., & Moore, J. M. (1999). Chem. Biol. 6, 755-69.
9. Fejzo, J., Lepre, C., Xie, X. (2002). Current Topics in Medicinal Chemistry 2, 1349-1364.
10. Hotamisligil, G. S., Johnson, R. S., Distel, R. J., Ellis, R., Papaioannou, V. E., & Spiegelman, B. M. (1996). Science 274, 1377-9.
11. Jarvis, R. A., & Patrick, E. A. (1973). IEEE Transactions on Computers C-22, 1025-1034.
12. Kane, C. D., & Bernlohr, D. A. (1996). Anal Biochem 233, 197-204.
13. LaLonde, J. M., Bernlohr, D. A., & Banaszak, L. J. (1994). Biochemistry 33, 4885-4895.
14. Layne, M. D., Patel, A., Chen, Y. H., Rebel, V. I., Carvajal, I. M., Pellacani, A., Ith, B., Zhao, D., Schreiber, B. M., Yet, S. F., Leo, M. E., Storch, J., & Perrella, M. A. (2001). Fuseb J 15, 2733-5.
15. Lepre, C. A. (2001). Drug Discovery Today 6, 133-140.
16. Lepre, C. A. (2002). In "BioNMR Techniques in Drug Research" (O. Zerbe, ed.). pp. 1349-1364. Wiley-VCH, Weinheim.
17. Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeny, P. J. (1997). Advanced Drug Delivery Reviews 23, 3-25.
18. Makowski, L., Boord, J. B., Maeda, K., Babaev, V. R., Uysal, K. T., Morgan, M. A., Parker, R. A., Suttles, J., Fazio, S., Hotamisligil, G. S., & Linton, M. F. (2001). Nat Med 7, 699-705.
19. Mayer, M., & Meyer, B. (1999). Angew. Chem. Int. Ed. 38, 1784-1788.
20. Pellecchia, M., Meininger, D., Dong, Q., Chang, E., Jack, R., & Sem, D. S. (2002). J Biomol NMR 22, 165-73.
21. Peng, J. W., Lepre, C. A., Fejzo, J., Abdul-Manan, N., & Moore, J. M. (2001). Methods Enzymol 338, 202-30.
22. Scheja, L., Makowski, L., Uysal, K. T., Wiesbrock, S. M., Shimshek, D. R., Meyers, D. S., Morgan, M., Parker, R. A., & Hotamisligil, G. S. (1999). Diabetes 48, 1987-94.
23. Shuker, S. B., Hajduk, P. J., Meadows, R. P., & Fesik, S. W. (1996). Science 274, 1531-4.
24. Teague, S. J., Davis, A. M., Leeson, P. D., & Oprea, T. ( 1999). Angew. Chem. Int. Ed. 38, 3743-3747.
25. Uysal, K. T., Scheja, L., Wiesbrock, S. M., Bonner-Weir, S., & Hotamisligil, G. S. (2000). Endocrinology 141, 3388-96.
26. Walters, W. P., & Murcko, M. A. (2000). In "Virtual screening for bioactive molecules" (H.-J. Böhm and G. Schneider, eds.), Vol. 10, pp. 15-32. Wiley-VCH, New York.
27. Walters, W. P., Stahl, M. T., & Murcko, M. A. (1998). Drug. Discov. Today 3, 160-178.
28. Xia, X. G., Harding, T., Weller, M., Bieneman, A., Uney, J. B., & Schulz, J. B. (2001). Proc. Nutl. Acad. Sci. USA 98, 10433-10438.