메뉴 건너뛰기




Volumn 14, Issue 6, 2011, Pages 521-531

The design and application of target-focused compound libraries

Author keywords

Biofocus; Galapagos; GPCR; Hit rate; HTS; Ion channel; Kinase; Library design; PPI; Softfocus; Target focus

Indexed keywords

AURORA A KINASE; G PROTEIN COUPLED RECEPTOR; ION CHANNEL; LIGAND GATED ION CHANNEL; PROTEIN KINASE;

EID: 79958010723     PISSN: 13862073     EISSN: 18755402     Source Type: Journal    
DOI: 10.2174/138620711795767802     Document Type: Article
Times cited : (101)

References (34)
  • 1
    • 1942453243 scopus 로고    scopus 로고
    • Ligand efficiency: A useful metric for lead selection
    • DOI 10.1016/S1359-6446(04)03069-7, PII S1359644604030697
    • Hopkins, A. L.; Green, C. R.; Alex, A. Ligand efficiency: a useful metric for lead selection. Drug Discov. Today, 2004, 9(10), 430-431. (Pubitemid 38510559)
    • (2004) Drug Discovery Today , vol.9 , Issue.10 , pp. 430-431
    • Hopkins, A.L.1    Groom, C.R.2    Alex, A.3
  • 3
    • 77950571108 scopus 로고    scopus 로고
    • New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays
    • Baell, J. B.; Holloway, G. A. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J. Med. Chem., 2010, 53(7), 2719-2740.
    • (2010) J. Med. Chem. , vol.53 , Issue.7 , pp. 2719-2740
    • Baell, J.B.1    Holloway, G.A.2
  • 5
    • 58149116803 scopus 로고    scopus 로고
    • Similarity searching using fingerprints of molecular fragments involved in protein-ligand interactions
    • Tan, L.; Loukine, E.; Bajorath, J. Similarity searching using fingerprints of molecular fragments involved in protein-ligand interactions. J. Chem. Inf. Model., 2008, 48(12), 2308-2312.
    • (2008) J. Chem. Inf. Model. , vol.48 , Issue.12 , pp. 2308-2312
    • Tan, L.1    Loukine, E.2    Bajorath, J.3
  • 6
    • 38049014405 scopus 로고    scopus 로고
    • The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies
    • Examples: Feher, M.; Gao, Y.; Baber, J. C.; Shirley, W. A.; Saunders, J. The use of ligand-based de novo design for scaffold hopping and sidechain optimization: two case studies. Bioorg. Med. Chem. Lett., 2008, 16(1), 422-427.
    • (2008) Bioorg. Med. Chem. Lett. , vol.16 , Issue.1 , pp. 422-427
    • Feher, E.M.1    Gao, Y.2    Baber, J.C.3    Shirley, W.A.4    Saunders, J.5
  • 7
    • 33646493006 scopus 로고    scopus 로고
    • Scaffold-hopping potential of ligand-based similarity concepts
    • DOI 10.1002/cmdc.200500005
    • Renner, S.; Schneider, G. Scaffold-hopping potential of ligand-based similarity concepts. Chem. Med. Chem., 2006, 1(2), 181-185. (Pubitemid 43700297)
    • (2006) ChemMedChem , vol.1 , Issue.2 , pp. 181-185
    • Renner, S.1    Schneider, G.2
  • 8
    • 79957977650 scopus 로고    scopus 로고
    • Examples: WO 2007/131991 Galapagos, MAPKAPK5 inhibitors; WO 2004/026877 Schering Corporation, CDK inhibitors; WO 2006/124874 Kalypsys Inc., B-Raf inhibitors
    • Examples: WO 2007/131991 (Galapagos, MAPKAPK5 inhibitors); WO 2004/026877 (Schering Corporation, CDK inhibitors); WO 2006/124874 (Kalypsys Inc., B-Raf inhibitors).
  • 9
    • 79957985949 scopus 로고    scopus 로고
    • http://www.pdb.org/pdb/home/home.do.
  • 12
    • 34547132324 scopus 로고    scopus 로고
    • Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity
    • DOI 10.1158/0008-5472.CAN-07-0320
    • Pogacic, V.; Bullock, A. N.; Fedorov, O.; Filippakopoulos, P.; Gasser, C.; Biondi, A.; Meyer-Monard, S.; Knapp, S.; Schwaller, J. Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity. Cancer Research, 2007, 67, 6916-6924. (Pubitemid 47105539)
    • (2007) Cancer Research , vol.67 , Issue.14 , pp. 6916-6924
    • Pogacic, V.1    Bullock, A.N.2    Fedorov, O.3    Filippakopoulos, P.4    Gasser, C.5    Biondi, A.6    Meyer-Monard, S.7    Knapp, S.8    Schwaller, J.9
  • 13
    • 38949134824 scopus 로고    scopus 로고
    • Structures of P. falciparum Protein Kinase 7 Identify an Activation Motif and Leads for Inhibitor Design
    • DOI 10.1016/j.str.2007.11.014, PII S0969212608000105
    • Merckx A.; Echalier A.; Langford K.; Sicard A.; Langsley G.; Joore J.; Doerig C.; Noble M.; Endicott J. Structures of P. falciparum protein kinase 7 identify an activation motif and leads for inhibitor design. Structure, 2008, 16(2), 228-238. (Pubitemid 351222652)
    • (2008) Structure , vol.16 , Issue.2 , pp. 228-238
    • Merckx, A.1    Echalier, A.2    Langford, K.3    Sicard, A.4    Langsley, G.5    Joore, J.6    Doerig, C.7    Noble, M.8    Endicott, J.9
  • 15
    • 79957976269 scopus 로고    scopus 로고
    • For example GLPG0259 in Phase II
    • For example GLPG0259 in Phase II: http://www.glpg.com/press/2010/30.htm;
  • 16
    • 79957978403 scopus 로고    scopus 로고
    • http://www.glpg.com/pharmaceuticals/ra.htm.
  • 17
    • 33745298429 scopus 로고    scopus 로고
    • Rational design of inhibitors that bind to inactive kinase conformations
    • DOI 10.1038/nchembio799, PII N799
    • Liu, Y.; Gray, N. S. Rational design of inhibitors that bind to inactive kinase conformations. Nat. Chem. Biol, 2006, 2, 358-364. (Pubitemid 43936934)
    • (2006) Nature Chemical Biology , vol.2 , Issue.7 , pp. 358-364
    • Liu, Y.1    Gray, N.S.2
  • 18
    • 51849144627 scopus 로고    scopus 로고
    • Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery
    • Ghose, A. K.: Herbertz, T.; Pippin, D. A.; Salvino, J. M.; Mallamo, J. P. Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery. J. Med. Chem., 2008, 51(17), 5149-5171.
    • (2008) J. Med. Chem. , vol.51 , Issue.17 , pp. 5149-5171
    • Ghose, A.K.1    Herbertz, T.2    Pippin, D.A.3    Salvino, J.M.4    Mallamo, J.P.5
  • 22
    • 79957998788 scopus 로고    scopus 로고
    • http://www.cresset-bmd.com/product/fieldtemplater.
  • 25
    • 67149136711 scopus 로고    scopus 로고
    • Passing the baton in class B GPCRs: Peptide hormone activation via helix induction?
    • Parthier, C.; Reedtz-Runge, S.; Rudolph, R.; Stubbs, M. T. Passing the baton in class B GPCRs: peptide hormone activation via helix induction? Trends Biochem. Sci., 2009, 34(6), 303-310.
    • (2009) Trends Biochem. Sci. , vol.34 , Issue.6 , pp. 303-310
    • Parthier, C.1    Reedtz-Runge, S.2    Rudolph, R.3    Stubbs, M.T.4
  • 26
    • 84967642606 scopus 로고    scopus 로고
    • A reductionist approach to chemogenomics in the design of drug molecules and focused libraries
    • Chemogenomics Ed. Jacoby, E.
    • Crossley, R.; Slater, M. J. A reductionist approach to chemogenomics in the design of drug molecules and focused libraries. In Chemogenomics (Ed. Jacoby, E.), Imperial College London Press, 2006, pp. 85-108.
    • (2006) Imperial College London Press , pp. 85-108
    • Crossley, R.1    Slater, M.J.2
  • 28
    • 76149109071 scopus 로고    scopus 로고
    • Targeting protein-protein interactions for therapeutic intervention: A challenge for the future
    • Zinzalla, G.; Thurston, D. E. Targeting protein-protein interactions for therapeutic intervention: a challenge for the future. Future Med. Chem., 2009, 1(1), 65-93.
    • (2009) Future Med. Chem. , vol.1 , Issue.1 , pp. 65-93
    • Zinzalla, G.1    Thurston, D.E.2
  • 29
    • 54049134708 scopus 로고    scopus 로고
    • The design, structures and therapeutic potential of protein epitope mimetics
    • Robinson, J. A.; DeMarco, S.; Gombert, F.; Moehle, K.; Obrecht, D. The design, structures and therapeutic potential of protein epitope mimetics. Drug Discov. Today, 2008, 13 (21-22), 944-951.
    • (2008) Drug Discov. Today , vol.13 , Issue.21-22 , pp. 944-951
    • Robinson, J.A.1    DeMarco, S.2    Gombert, F.3    Moehle, K.4    Obrecht, D.5
  • 31
    • 65549118222 scopus 로고    scopus 로고
    • Synthetic inhibitors of extended helix-protein interactions based on a biphenyl 4, 4'-dicarboxamide scaffold
    • Rodriguez, J. M.; Nevola, L.; Ross, N. T.; Lee, G.; Hamilton, A. D.; Synthetic inhibitors of extended helix-protein interactions based on a biphenyl 4, 4'-dicarboxamide scaffold. ChemBioChem, 2009, 10(5), 829-833.
    • (2009) ChemBioChem , vol.10 , Issue.5 , pp. 829-833
    • Rodriguez, J.M.1    Nevola, L.2    Ross, N.T.3    Lee, G.4    Hamilton, A.D.5
  • 32
    • 0037170794 scopus 로고    scopus 로고
    • Biphenyls as potential mimetics of protein α-helix
    • DOI 10.1016/S0960-894X(02)00031-8, PII S0960894X02000318
    • Jacoby, E. Biphenyls as potential mimetics of protein a-helix. Bioorg. Med. Chem. Lett., 2002, 12(6), 891-893. (Pubitemid 34214968)
    • (2002) Bioorganic and Medicinal Chemistry Letters , vol.12 , Issue.6 , pp. 891-893
    • Jacoby, E.1
  • 33
    • 47149111206 scopus 로고    scopus 로고
    • Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of orthosubstituted biphenyl P4 moieties: Discovery of novel, highly potent inhibitors of Factor Xa
    • Qiao, J. X.; Cheney, D. L.; Alexander, R. S.; Smallwood, A. M.; King, S. R.; He, K.; Rendina, A. R.; Luettgen, J. M.; Knabb, R. M.; Wexler, R. R.; Lam, P. Y. S. Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of orthosubstituted biphenyl P4 moieties: Discovery of novel, highly potent inhibitors of Factor Xa. Bioorg Med. Chem. Lett., 2008, 18(14), 4118-4123.
    • (2008) Bioorg Med. Chem. Lett. , vol.18 , Issue.14 , pp. 4118-4123
    • Qiao, J.X.1    Cheney, D.L.2    Alexander, R.S.3    Smallwood, A.M.4    King, S.R.5    He, K.6    Rendina, A.R.7    Luettgen, J.M.8    Knabb, R.M.9    Wexler, R.R.10    Lam, P.Y.S.11
  • 34
    • 34447503818 scopus 로고    scopus 로고
    • +-flux assay of the Kv1.3 potassium channel
    • DOI 10.1089/adt.2006.004
    • Gill, S.; Gill, R.; Wicks, D.; Liang, D. A cell-based Rb (+)-flux assay of the Kv1.3 potassium channel. Assay Drug Dev. Technol, 2007, 5(3), 373-380. (Pubitemid 47067882)
    • (2007) Assay and Drug Development Technologies , vol.5 , Issue.3 , pp. 373-380
    • Gill, S.1    Gill, R.2    Wicks, D.3    Liang, D.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.