1 Erlanson, D.A., McDowell, R.S., O'Brien, T.: Fragment-based drug discovery. J. Med. Chem. 2004, 47, 3463-3482.

2 Rees, D.C., Congreve, M., Murray, C.W., Carr, R.: Fragment-based lead discovery. Nat. Rev. Drug Discov. 2004, 3, 660-672.

3 Jahnke, W., Erlanson, D.A. (Eds): Fragment-Based Approaches in Drug Discovery. Vol 34 in series Methods and Principles in Medicinal Chemistry (Series Eds: R. Mannhold, H. Kubinyi, G. Folkers). Weinheim, Germany: Wiley-VCH; 2006.

4 Lipinski, C.A.H., All, L.: Navigating chemical space for biology and medicine. Nature 2004, 432, 855-861.

5 Maly, D.J., Choong, I.C., Ellman, J.A.: Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors. Proc. Natl Acad. Sci. USA 2000, 97, 2419-2424.

6 Shuker, S.B., Hajduk, P.J., Meadows, R.P., Fesik, S.W.: Discovering high-affinity ligands for proteins: SAR by NMR. Science 1996, 274, 1531-1534.

7 Hajduk, P.J., Gerfin, T., Boehlen, J.M., Haberli, M., Marek, D., Fesik, S.W.: High-throughput nuclear magnetic resonance-based screening. J. Med. Chem. 1999, 42, 2315-2317.

8 Huth, J.R., Sun, C.: Utility of NMR in lead optimization: fragment-based approaches. Comb. Chem. High. Throughput Screen. 2002, 5, 631-643.

9 Nienaber, V.L., Richardson, P.L., Klighofer, V., Bouska, J.J., Giranda, V.L., Greer, J.: Discovering novel ligands for macromolecules using X-ray crystallographic screening. Nat. Biotechnol. 2000, 18, 1105-1108.

10 Congreve, M.S., Davis, D.J., Devine, L., Granata, C., O'Reilly, M., Wyatt, P.G., Jhoti, H.: Detection of ligands from a dynamic combinatorial library by X-ray crystallography. Angew. Chem. Int. Ed. Engl. 2003, 42, 4479-4482.

11 Erlanson, D.A., Braisted, A.C., Raphael, D.R., Randal, M., Stroud, R.M., Gordon, E.M., Wells, J.A.: Site-directed ligand discovery. Proc. Natl Acad. Sci. USA 2000, 97, 9367-9372.

12 Erlanson, D.A., Wells, J.A., Braisted, A.C.: Tethering: fragment-based drug discovery. Annu. Rev. Biophys. Biomol. Struct. 2004, 33, 199-223.

13 Hofstadler, S.A., Griffey, R.H.: Analysis of noncovalent complexes of DNA and RNA by mass spectrometry. Chem. Rev. 2001, 101, 377-390.

14 Swayze, E.E., Jefferson, E.A., Sannes-Lowery, K.A., Blyn, L.B., Risen, L.M., Arakawa, S., Osgood, S.A., Hofstadler, S.A., Griffey, R.H.: SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J. Med. Chem. 2002, 45, 3816-3819.

15 Ockey, D.A., Dotson, J.L., Struble, M.E., Stults, J.T., Bourell, J.H., Clark, K.R., Gadek, T.R.: Structure-activity relationships by mass spectrometry: identification of novel MMP-3 inhibitors. Bioorg. Med. Chem. 2004, 12, 37-44.

16 Whitehouse, C.M., Dreyer, R.N., Yamashita, M., Fenn, J.B.: Electrospray interface for liquid chromatographs and mass spectrometers. Anal. Chem. 1985, 57, 675-679.

17 Karas, M., Bachmann, D., Hillenkamp, F.: Influence of the wavelength in high-irradiance ultraviolet laser desorption mass spectrometry of organic molecules. Anal. Chem. 1985, 57, 2935-2939.

18 Annis, D.A., Nazef,N., Chuang, C.C., Scott, M.P., Nash, H.M.: A general technique to rank protein-ligand binding affinities and determine allosteric versus direct binding site competition in compound mixtures. J. Am. Chem. Soc. 2004, 126, 15495-15503.

19 Tethering is a registered service mark of Sunesis Pharmaceuticals, Inc., for its fragment-based drug discovery.

20 Erlanson, D.A., Ballinger, M.D., Wells, J.A.: Tethering, in Fragment-based Approaches in Drug Discovery, ed. W. Jahnke, D.A. Erlanson, Wiley-VCH, Weinheim, 2006. pp 285-310.

21 Keire, D.A., Strauss, E., Guo, W., Noszal, B., Rabenstein, D.L.: Kinetics and equilibria of thiol/disulfide interchange reactions of selected biological thiols and related molecules with oxidized glutathione. J. Org. Chem. 1992, 57, 123-127.

22 McGovern, S.L., Caselli, E., Grigorieff, N., Shoichet, B.K.: A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening.

23 Costi, M.P., Tondi, D., Rinaldi, M., Barlocco, D., Pecorari, P., Soragni, F., Venturelli, A., Stroud, R.M.: Structure-based studies on species-specific inhibition of thymidylate synthase. Biochim. Biophys. Acta 2002, 1587, 206-214.

24 Erlanson, D.A., Lam, J.W., Wiesmann, C., Luong, T.N., Simmons, R.L., DeLano, W.L., Choong, I.C., Burdett, M.T., Flanagan, W.M., Lee, D., Gordon, E.M., O'Brien, T.: In situ assembly of enzyme inhibitors using extended tethering. Nat. Biotechnol. 2003, 21, 308-314.

25 O'Brien, T., Lee, D.: Prospects for caspase inhibitors. Mini Rev. Med. Chem. 2004, 4, 153-165.

26 Choong, I.C., Lew, W., Lee, D., Pham, P., Burdett, M.T., Lam, J.W., Wiesmann, C., Luong, T.N., Fahr, B., DeLano, W.L., McDowell, R.S., Allen, D.A., Erlanson, D.A., Gordon, E.M., O'Brien, T.: Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J. Med. Chem. 2002, 45, 5005-5022.

27 Allen, D.A., Pham, P., Choong, I.C., Fahr, B., Burdett, M.T., Lew, W., DeLano, W.L., Gordon, E.M., Lam, J.W., O'Brien, T., Lee, D.: Identification of potent and novel small-molecule inhibitors of caspase-3. Bioorg. Med. Chem. Lett. 2003, 13, 3651-3655.

28 O'Brien, T., Fahr, B.T., Sopko, M., Lam, J.W., Waal, N.D., Raimundo, B.C., Purkey, H., Pham, P., Romanowski, M.J.: Structural analysis of caspase-1 inhibitors derived from Tethering. Acta Crystallogr. 2005, F61, 451-458.

29 Fahr, B.T., O'Brien, T., Pham, P., Waal, N.D., Baskaran, S., Raimundo, B.C., Lam, J.W., Sopko, M.M., Purkey, H.E., Romanowski, M.J.: Tethering identifies fragment that yields potent inhibitors of human caspase-1. Bioorg. Med. Chem. Lett. 2006, 16, 559-562.

30 Thornberry, N.A., Rano, T.A., Peterson, E.P., Rasper, D.M., Timkey, T., Garcia-Calvo, M., Houtzager, V., Nordstrom, P., Roy, S., Vaillancourt, J., Chapman, K., Nicholson, D.: A combinatorial approach defines specificities of members of the caspase family and Granzyme B.

31 Braisted, A.C., Oslob, J.D., Delano, W.L., Hyde, J., McDowell, R.S., Waal, N., Yu, C., Arkin, M.R., Raimundo, B.C.: Discovery of a potent small molecule IL-2 inhibitor through fragment assembly. J. Am. Chem. Soc. 2003, 125, 3714-3715.

32 Arkin, M.R., Randal, M., DeLano, W.L., Hyde, J., Luong, T.N., Oslob, J.D., Raphael, D.R., Taylor, L., Wang, J., McDowell, R.S., Wells, J.A., Braisted, A.C.: Binding of small molecules to an adaptive proteinprotein interface. Proc. Natl Acad. Sci. USA 2003, 100, 1603-1608.

33 Raimundo, B.C., Oslob, J.D., Braisted, A.C., Hyde, J., McDowell, R.S., Randal, M., Waal, N.D., Wilkinson, J., Yu, C.H., Arkin, M.R.: Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. J. Med. Chem. 2004, 47, 3111-3130.

34 Hardy, J.A., Lam, J., Nguyen, J.T., O'Brien, T., Wells, J.A.: Discovery of an allosteric site in the caspases. Proc. Natl Acad. Sci. USA 2004, 101, 12461-12466.

35 Buck, E., Wells, J.A.: Disulfide trapping to localize small-molecule agonists and antagonists for a G protein-coupled receptor. Proc. Natl Acad. Sci. USA 2005, 102, 2719-2724.

36 Buck, E., Bourne, H., Wells, J.A.: Site-specific disulfide capture of agonist and antagonist peptides on the C5a receptor. J. Biol. Chem. 2005, 280, 4009-4012.

Was this article helpful?

0 0

Post a comment