메뉴 건너뛰기




Volumn 6, Issue 1, 2006, Pages 19-29

Recent developments in focused library design: Targeting gene-families

Author keywords

Drug discovery; Focused library design; Gene family; GPCR; High throughput screening; Kinase

Indexed keywords

CHEMICAL COMPOUND; CHYMOTRYPSIN; CYCLOOXYGENASE 2 INHIBITOR; DRUG; ELASTASE; G PROTEIN COUPLED RECEPTOR; GLYCINE DERIVATIVE; ION CHANNEL; LIGAND; MU OPIATE RECEPTOR; PEPTOID; PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; PROTEINASE; TRYPSIN;

EID: 33644855557     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/156802606775193347     Document Type: Review
Times cited : (41)

References (100)
  • 1
    • 11144320699 scopus 로고    scopus 로고
    • Navigating chemical space and biology for medicine
    • Lipinski, C., Hopkins, A. Navigating chemical space and biology for medicine. Nature 2004, 432, 855-861.
    • (2004) Nature , vol.432 , pp. 855-861
    • Lipinski, C.1    Hopkins, A.2
  • 5
    • 0036231827 scopus 로고    scopus 로고
    • Designing focused libraries for drug discovery: Hit to lead to drug
    • Tropsha, A., Reynolds, C.H. Designing focused libraries for drug discovery: Hit to lead to drug. J. Mol. Graphics Modell. 2002, 20, 427-428.
    • (2002) J. Mol. Graphics Modell. , vol.20 , pp. 427-428
    • Tropsha, A.1    Reynolds, C.H.2
  • 6
    • 0034465603 scopus 로고    scopus 로고
    • Introduction and foreward to the special issue on combinatorial library design
    • Agrafiotis, D.K., Martin, E.J. Introduction and foreward to the special issue on combinatorial library design. J. Mol. Graphics Modell. 2000, 18, 317-319.
    • (2000) J. Mol. Graphics Modell. , vol.18 , pp. 317-319
    • Agrafiotis, D.K.1    Martin, E.J.2
  • 7
    • 0032563111 scopus 로고    scopus 로고
    • Selective ligands for the μ, δ, and κ opioid receptors identified from a single tetrapeptide positional scanning combinatorial library
    • Dooley, C.T., Ny, P., Bidlack, J.M., Houghten, R.A. Selective ligands for the μ, δ, and κ opioid receptors identified from a single tetrapeptide positional scanning combinatorial library. J. Biol. Chem. 1998, 273, 18848-18856.
    • (1998) J. Biol. Chem. , vol.273 , pp. 18848-18856
    • Dooley, C.T.1    Ny, P.2    Bidlack, J.M.3    Houghten, R.A.4
  • 9
    • 0028953765 scopus 로고
    • Measuring diversity: Experimental design of combinatorial libraries for drug discovery
    • Martin, E.J., Blaney, J.M., Siani, M.A., Spellmeyer, D.C., Wong, A.K., Moos, W.H. Measuring diversity: Experimental design of combinatorial libraries for drug discovery. J. Med. Chem. 1995, 38, 1431-1436.
    • (1995) J. Med. Chem. , vol.38 , pp. 1431-1436
    • Martin, E.J.1    Blaney, J.M.2    Siani, M.A.3    Spellmeyer, D.C.4    Wong, A.K.5    Moos, W.H.6
  • 10
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permability in drug discovery and development settings
    • Lipinski, C.A., Lombardo, F., Dominy, B.W., Feeney, P.J. Experimental and computational approaches to estimate solubility and permability in drug discovery and development settings. Adv. Drug Deliv. Rev. 1997, 23, 3-25.
    • (1997) Adv. Drug Deliv. Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 11
    • 0033518275 scopus 로고    scopus 로고
    • Designing libraries with CNS activity
    • Ajay, A., Bemis, G.W., Murcko, M.A. Designing libraries with CNS activity. J. Med. Chem. 1999, 42, 4942-4951.
    • (1999) J. Med. Chem. , vol.42 , pp. 4942-4951
    • Ajay, A.1    Bemis, G.W.2    Murcko, M.A.3
  • 12
    • 0035438391 scopus 로고    scopus 로고
    • Is there a difference between leads and drugs? A historical perspective
    • Oprea, T.I., Davis, A.M., Teague, S.J., Leeson, P.D. Is there a difference between leads and drugs? A historical perspective. J. Chem. Inf. Comput. Sci. 2001, 41, 1308-1315.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1308-1315
    • Oprea, T.I.1    Davis, A.M.2    Teague, S.J.3    Leeson, P.D.4
  • 17
    • 0034878886 scopus 로고    scopus 로고
    • A novel chemogenomics knowledge-based ligand design strategy - Application to G Protein-coupled receptors
    • Jacoby, E. A novel chemogenomics knowledge-based ligand design strategy - Application to G Protein-coupled receptors. Quant. Struct.-Act. Relat. 2001, 20, 115-123.
    • (2001) Quant. Struct.-Act. Relat. , vol.20 , pp. 115-123
    • Jacoby, E.1
  • 18
    • 0343339895 scopus 로고    scopus 로고
    • A three binding site hypothesis for interactions of ligands with monoamine G Protein-coupled receptors: Implications for combinatorial ligand design
    • Jacoby, E., Fauchère, J.-L., Raimbaud, E., Ollivier, S., Michel, A., Spedding, M. A three binding site hypothesis for interactions of ligands with monoamine G Protein-coupled receptors: Implications for combinatorial ligand design. Quant. Struct.-Act. Relat. 1999, 18, 561-572.
    • (1999) Quant. Struct.-Act. Relat. , vol.18 , pp. 561-572
    • Jacoby, E.1    Fauchère, J.-L.2    Raimbaud, E.3    Ollivier, S.4    Michel, A.5    Spedding, M.6
  • 19
    • 11144237578 scopus 로고    scopus 로고
    • A screening library for peptide activated G-protein coupled receptors. 1. The test set
    • Lavrador, K., Murphy, B., Saunder, J., Struthers, S., Wang, X., Williams, J. A screening library for peptide activated G-protein coupled receptors. 1. The test set. J. Med. Chem. 2004, 47, 6864-6874.
    • (2004) J. Med. Chem. , vol.47 , pp. 6864-6874
    • Lavrador, K.1    Murphy, B.2    Saunder, J.3    Struthers, S.4    Wang, X.5    Williams, J.6
  • 22
    • 2942618672 scopus 로고    scopus 로고
    • Selecting compounds for focused screening using linear discriminant analysis and artificial neural networks
    • Ford, M.G., Pitt, W.R., Whitley, D.C. Selecting compounds for focused screening using linear discriminant analysis and artificial neural networks. J. Mol. Graphics Modell. 2004, 22, 467-472.
    • (2004) J. Mol. Graphics Modell. , vol.22 , pp. 467-472
    • Ford, M.G.1    Pitt, W.R.2    Whitley, D.C.3
  • 24
    • 0032543517 scopus 로고    scopus 로고
    • Rational design and combinatorial evaluation of enzyme inhibitor scaffolds: Identificaiton of novel inhibitors of matrix metalloproteinases
    • Szardenings, A.K., Harris, D., Lam, S., Shi, L., Tien, D., Wang, Y., Patel, D.V., Nacre, M., Campbell, D.A. Rational design and combinatorial evaluation of enzyme inhibitor scaffolds: identificaiton of novel inhibitors of matrix metalloproteinases. J. Med. Chem. 1998, 41, 2194-2200.
    • (1998) J. Med. Chem. , vol.41 , pp. 2194-2200
    • Szardenings, A.K.1    Harris, D.2    Lam, S.3    Shi, L.4    Tien, D.5    Wang, Y.6    Patel, D.V.7    Nacre, M.8    Campbell, D.A.9
  • 26
    • 0032572819 scopus 로고    scopus 로고
    • Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?
    • Ajay, A., Walters, W.P. Murcko, M.A. Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? J. Med. Chem. 1998, 41, 3314-3324.
    • (1998) J. Med. Chem. , vol.41 , pp. 3314-3324
    • Ajay, A.1    Walters, W.P.2    Murcko, M.A.3
  • 27
    • 0037208308 scopus 로고    scopus 로고
    • Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry
    • Feher, M., Schmidt, J. Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry. J. Chem. Inf. Comput. Sci. 2003, 43, 218-227.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 218-227
    • Feher, M.1    Schmidt, J.2
  • 28
    • 0032600640 scopus 로고    scopus 로고
    • A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualititative and quantitative characterization of known drug databases
    • Ghose, A.K., Viswanadhan, V.N., Wendoloski, J.J. A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualititative and quantitative characterization of known drug databases. J. Comb. Chem. 1999, 1, 55-68.
    • (1999) J. Comb. Chem. , vol.1 , pp. 55-68
    • Ghose, A.K.1    Viswanadhan, V.N.2    Wendoloski, J.J.3
  • 29
    • 0032015361 scopus 로고    scopus 로고
    • Identification of biological activity profiles using substructural analysis and genetic algorithms
    • Gillet, V.J., Willett; P., Bradshaw, J. Identification of biological activity profiles using substructural analysis and genetic algorithms. J. Chem. Inf. Comput. Sci. 1998, 38, 165-179.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 165-179
    • Gillet, V.J.1    Willett, P.2    Bradshaw, J.3
  • 30
    • 0035347869 scopus 로고    scopus 로고
    • Scaffold architecture and pharmacophoric properties of natural products and trade drugs: Application in the design of natural product-based combinatorial libraries
    • Lee, M.-L., Schneider, G. Scaffold architecture and pharmacophoric properties of natural products and trade drugs: Application in the design of natural product-based combinatorial libraries. J. Comb. Chem. 2001, 3, 284-289.
    • (2001) J. Comb. Chem. , vol.3 , pp. 284-289
    • Lee, M.-L.1    Schneider, G.2
  • 31
    • 0032572816 scopus 로고    scopus 로고
    • A scoring scheme for discriminating between drugs and nondrugs
    • Sadowski, J., Kubinyi, H. A scoring scheme for discriminating between drugs and nondrugs. J. Med. Chem. 1998, 41, 3325-3329.
    • (1998) J. Med. Chem. , vol.41 , pp. 3325-3329
    • Sadowski, J.1    Kubinyi, H.2
  • 33
    • 0035324932 scopus 로고    scopus 로고
    • Comparison of the NCI open database with seven large chemical structural databases
    • Voigt, J.H., Beinfait, B., Wang, S., Nicklaus, M.C. Comparison of the NCI open database with seven large chemical structural databases. J. Chem. Inf. Comput. Sci. 2001, 41, 702-712.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 702-712
    • Voigt, J.H.1    Beinfait, B.2    Wang, S.3    Nicklaus, M.C.4
  • 34
    • 0001376170 scopus 로고    scopus 로고
    • Potential drugs and nondrugs: Prediction and identification of important structural features
    • Wagener, M., van Geerestein, V.J. Potential drugs and nondrugs: Prediction and identification of important structural features. J. Chem. Inf. Comput. Sci. 2000, 40, 280-292.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 280-292
    • Wagener, M.1    van Geerestein, V.J.2
  • 35
    • 0036662353 scopus 로고    scopus 로고
    • Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries
    • Xu, Y.-J., Johnson, M. Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries. J. Chem. Inf. Comput. Sci. 2002, 42, 912-926.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 912-926
    • Xu, Y.-J.1    Johnson, M.2
  • 36
    • 11144341956 scopus 로고    scopus 로고
    • Chemical space and biology
    • Dobson, C.M. Chemical space and biology. Nature 2004, 432, 824-828.
    • (2004) Nature , vol.432 , pp. 824-828
    • Dobson, C.M.1
  • 37
    • 0036835460 scopus 로고    scopus 로고
    • Integration of virtual and high-throughput screening
    • Bajorath, J. Integration of virtual and high-throughput screening. Nat. Rev. Drug Discovery 2002, 1, 882-894.
    • (2002) Nat. Rev. Drug Discovery , vol.1 , pp. 882-894
    • Bajorath, J.1
  • 38
    • 0041342061 scopus 로고    scopus 로고
    • Identification of "latent hits" in compound screening collections
    • Mestres, J., Veeneman, G.H. Identification of "latent hits" in compound screening collections. J. Med. Chem. 2003, 46, 3441-3444.
    • (2003) J. Med. Chem. , vol.46 , pp. 3441-3444
    • Mestres, J.1    Veeneman, G.H.2
  • 39
    • 0036010704 scopus 로고    scopus 로고
    • Structure-based combinatorial library design: Methodologies and applications
    • Beavers, M.P., Chen, X. Structure-based combinatorial library design: methodologies and applications. J. Mol. Graphics Modell. 2002, 20, 463-468.
    • (2002) J. Mol. Graphics Modell. , vol.20 , pp. 463-468
    • Beavers, M.P.1    Chen, X.2
  • 40
    • 0032795192 scopus 로고    scopus 로고
    • Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. Part 1. Prediction of intestinal absorption
    • Clark, D.E. Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. Part 1. Prediction of intestinal absorption. J. Pharm. Sci. 1999, 88, 807-814.
    • (1999) J. Pharm. Sci. , vol.88 , pp. 807-814
    • Clark, D.E.1
  • 41
    • 0036010703 scopus 로고    scopus 로고
    • Methods for compound selection focused on hits and application in drug discovery
    • Stahura, F.L., Xue, L. Godden, J.W. Bajorath, J. Methods for compound selection focused on hits and application in drug discovery. J. Mol. Graphics Modell. 2002, 20, 439-446.
    • (2002) J. Mol. Graphics Modell. , vol.20 , pp. 439-446
    • Stahura, F.L.1    Xue, L.2    Godden, J.W.3    Bajorath, J.4
  • 42
    • 33646136194 scopus 로고    scopus 로고
    • FILTER, OpenEye Scientific Software: Santa Fe, NM
    • FILTER, OpenEye Scientific Software: Santa Fe, NM.
  • 43
    • 0033642341 scopus 로고    scopus 로고
    • Compound acquisition strategies
    • Dunbar, Jr. J.B. Compound acquisition strategies. Pac. Sym. Biocomput. 2000, 555-565.
    • (2000) Pac. Sym. Biocomput. , pp. 555-565
    • Dunbar Jr., J.B.1
  • 48
    • 0036522742 scopus 로고    scopus 로고
    • Chemical library subset selection algorithms: A unified derivation using spatial statistics
    • Hamprecht, F.A., Thiel, W., van Gunsteren, W.F. Chemical library subset selection algorithms: A unified derivation using spatial statistics. J. Chem. Inf. Comput. Sci. 2002, 42, 414-428.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 414-428
    • Hamprecht, F.A.1    Thiel, W.2    van Gunsteren, W.F.3
  • 50
    • 0000454846 scopus 로고    scopus 로고
    • A constant time algorithm for estimating the diversity of large combinatorial libraries
    • Agrafiotis, D.K. A constant time algorithm for estimating the diversity of large combinatorial libraries. J. Chem. Inf. Comput. Sci. 2001, 41, 159-167.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 159-167
    • Agrafiotis, D.K.1
  • 51
    • 0036432333 scopus 로고    scopus 로고
    • A fractal approach for selecting an appropriate bin size for cell-based diversity estimation
    • Agrafiotis, D.K., Rassokhin, D.N. A fractal approach for selecting an appropriate bin size for cell-based diversity estimation. J. Chem. Inf. Comput. Sci. 2002, 42, 117-122.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 117-122
    • Agrafiotis, D.K.1    Rassokhin, D.N.2
  • 52
    • 0036432427 scopus 로고    scopus 로고
    • Chemical descriptors with disctinct levels of information content and varying sensitivity to differences between selected compound databases identified by SE-DSE analysis
    • Godden, J.W., Bajorath, J. Chemical descriptors with disctinct levels of information content and varying sensitivity to differences between selected compound databases identified by SE-DSE analysis. J. Chem. Inf. Comput. Sci. 2002, 42, 87-93.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 87-93
    • Godden, J.W.1    Bajorath, J.2
  • 53
    • 0036628554 scopus 로고    scopus 로고
    • Chemical information based scaling of molecular descriptors: A universal chemical scale for library design and analysis
    • Tounge, B A., Pfahler, L.B., Reynolds, C.H. Chemical information based scaling of molecular descriptors: A universal chemical scale for library design and analysis. 2002, 42, 879-884.
    • (2002) , vol.42 , pp. 879-884
    • Tounge, B.A.1    Pfahler, L.B.2    Reynolds, C.H.3
  • 57
    • 2042437650 scopus 로고    scopus 로고
    • Initial sequencing and analysis of the human genome
    • Morgan, M.J., Initial sequencing and analysis of the human genome. Nature 2001, 409, 860.
    • (2001) Nature , vol.409 , pp. 860
    • Morgan, M.J.1
  • 58
    • 33646135038 scopus 로고    scopus 로고
    • MDL Drug Data Report, MDL Information Systems Inc.: San Leandro, CA
    • MDL Drug Data Report, MDL Information Systems Inc.: San Leandro, CA.
  • 59
    • 35448950092 scopus 로고    scopus 로고
    • Chapter 26. Privileged structures - An update
    • G.L. Trainor, Editor. Academic Press: San Diego
    • Patchett, A.A., Nargund, R.P. Chapter 26. Privileged structures - An update, in Annual reports in Medicinal Chemistry Vol. 35, G.L. Trainor, Editor. 2000, Academic Press: San Diego. p. 289-298.
    • (2000) Annual Reports in Medicinal Chemistry , vol.35 , pp. 289-298
    • Patchett, A.A.1    Nargund, R.P.2
  • 63
    • 1842740026 scopus 로고    scopus 로고
    • Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methods
    • Deng, W., Breneman, C., Embrechts, M.J. Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methods. J. Chem. Inf. Comput. Sci. 2004, 44, 699-703.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 699-703
    • Deng, W.1    Breneman, C.2    Embrechts, M.J.3
  • 66
    • 0000819953 scopus 로고    scopus 로고
    • Enhancing the hit-to-lead properties of lead optimization libraries
    • Pickett, S.D., McLay, I.M., Clark, D.E. Enhancing the hit-to-lead properties of lead optimization libraries. J. Chem. Inf. Comput. Sci. 2000, 40, 263-272.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 263-272
    • Pickett, S.D.1    McLay, I.M.2    Clark, D.E.3
  • 67
    • 0034644135 scopus 로고    scopus 로고
    • A rapid computational method for lead evolution: Description and application to the alpha 1-adrenergic antagonists
    • Bradley, E.K., Beroza, P., Penzotti, J.E., Grootenhuis, P.D.J., Spellmeyer, D.C., Miller, J.L. A rapid computational method for lead evolution: description and application to the alpha 1-adrenergic antagonists. J. Med. Chem. 2000, 43, 2770-2774.
    • (2000) J. Med. Chem. , vol.43 , pp. 2770-2774
    • Bradley, E.K.1    Beroza, P.2    Penzotti, J.E.3    Grootenhuis, P.D.J.4    Spellmeyer, D.C.5    Miller, J.L.6
  • 68
    • 0033649177 scopus 로고    scopus 로고
    • Library design and virtual screening using multiple 4-point pharmacophore fingerprints
    • Mason, J.S. Cheney, D.L. Library design and virtual screening using multiple 4-point pharmacophore fingerprints. Pac. Sym. Biocomput. 2000, 576-587.
    • Pac. Sym. Biocomput. , vol.2000 , pp. 576-587
    • Mason, J.S.1    Cheney, D.L.2
  • 69
    • 0033606988 scopus 로고    scopus 로고
    • New 4-point pharmacophore method for molecular similarity and diversity applications: Overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures
    • Mason, J.S., Morize, I., Menard, P.R., Cheney, D.L., Hulme, C., Labaudiniere, R.F. New 4-point pharmacophore method for molecular similarity and diversity applications: Overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures. J. Med. Chem. 1999, 42, 3251-3264.
    • (1999) J. Med. Chem. , vol.42 , pp. 3251-3264
    • Mason, J.S.1    Morize, I.2    Menard, P.R.3    Cheney, D.L.4    Hulme, C.5    Labaudiniere, R.F.6
  • 71
    • 0033630852 scopus 로고    scopus 로고
    • Pharmacophore fingerprinting. 2. Application to primary library design
    • McGregor, M.J., Muskal, S.M. Pharmacophore fingerprinting. 2. Application to primary library design. J. Med. Chem. 2000, 40, 117-125.
    • (2000) J. Med. Chem. , vol.40 , pp. 117-125
    • McGregor, M.J.1    Muskal, S.M.2
  • 72
    • 0036489464 scopus 로고    scopus 로고
    • METAPRINT: A metabolic fingerprint. Application to cassette design for high-throughput ADME screening
    • Keserü, G.M., Molnár, L. METAPRINT: A metabolic fingerprint. Application to cassette design for high-throughput ADME screening. J. Chem. Inf. Comput. Sci. 2002, 42, 437-444.
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 437-444
    • Keserü, G.M.1    Molnár, L.2
  • 73
    • 0036010699 scopus 로고    scopus 로고
    • Subcellular pharmacokinetics and its potential for library focusing
    • Balaz, S., Lukacova, V. Subcellular pharmacokinetics and its potential for library focusing. J. Mol. Graphics Modell. 2002, 20, 479-490.
    • (2002) J. Mol. Graphics Modell. , vol.20 , pp. 479-490
    • Balaz, S.1    Lukacova, V.2
  • 74
    • 33646157037 scopus 로고    scopus 로고
    • Ensemble database of biologically active compounds
    • Ensemble database of biologically active compounds. 2002, Prous Science.
    • (2002) Prous Science
  • 76
    • 15744363581 scopus 로고    scopus 로고
    • Metric validation and the receptor-relevant subspace concept
    • Pearlman, R.S., Smith, K.M. Metric validation and the receptor-relevant subspace concept. J. Chem. Inf. Comput. Sci. 1999, 39, 28-35.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 28-35
    • Pearlman, R.S.1    Smith, K.M.2
  • 78
    • 11144237578 scopus 로고    scopus 로고
    • A screening library for peptide activated G-Protein Coupled Receptors. 1. The test set
    • Lavrador, K., Murphy, B., Saunders, J., Struthers, S., Wang, X., Williams, J. A screening library for peptide activated G-Protein Coupled Receptors. 1. The test set. J. Med. Chem. 2004, 47, 6864-6874.
    • (2004) J. Med. Chem. , vol.47 , pp. 6864-6874
    • Lavrador, K.1    Murphy, B.2    Saunders, J.3    Struthers, S.4    Wang, X.5    Williams, J.6
  • 80
    • 84998153426 scopus 로고    scopus 로고
    • Informative libraries are more useful than diverse ones
    • Teig, S.L. Informative libraries are more useful than diverse ones. J. Biomol. Scr. 1998, 3, 85-88.
    • (1998) J. Biomol. Scr. , vol.3 , pp. 85-88
    • Teig, S.L.1
  • 81
    • 0035846123 scopus 로고    scopus 로고
    • From hit to lead. Combining two complementary methods for coused. library design. Applicaiton to μ opiate ligands
    • Poulain, R., Horvath, D., Bonnet, B., Exkhoff, C., Chapelain, B., Bodinier, M.-C., Deprez, B. From hit to lead. Combining two complementary methods for coused. library design. Applicaiton to μ opiate ligands. J. Med. Chem. 2001, 3378-3390.
    • J. Med. Chem. , vol.2001 , pp. 3378-3390
    • Poulain, R.1    Horvath, D.2    Bonnet, B.3    Exkhoff, C.4    Chapelain, B.5    Bodinier, M.-C.6    Deprez, B.7
  • 82
    • 7444256068 scopus 로고    scopus 로고
    • Toward a pharmacophore for kinase frequent hitters
    • Aronov, A.M., Murcko, M.A. Toward a pharmacophore for kinase frequent hitters. J. Med. Chem. 2004, 47, 5616-5619.
    • (2004) J. Med. Chem. , vol.47 , pp. 5616-5619
    • Aronov, A.M.1    Murcko, M.A.2
  • 83
    • 1842679452 scopus 로고    scopus 로고
    • Molecular similarity analysis and virtual screening by mapping of consensus positions in binary-transformed chemical descriptor spaces with variable dimensionality
    • Godden, J.W., Furr, J.R., Xue, L., Stahura, F.L., Bajorath, J. Molecular similarity analysis and virtual screening by mapping of consensus positions in binary-transformed chemical descriptor spaces with variable dimensionality. J. Chem. Inf. Comput. Sci. 2004, 44, 21-29.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 21-29
    • Godden, J.W.1    Furr, J.R.2    Xue, L.3    Stahura, F.L.4    Bajorath, J.5
  • 84
    • 0037208311 scopus 로고    scopus 로고
    • Recursive median partitioning for virutal screening of large databases
    • Godden, J.W., Furr, J.R., Bajorath, J. Recursive median partitioning for virutal screening of large databases. J. Chem. Inf. Comput. Sci. 2003, 43, 182-188.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 182-188
    • Godden, J.W.1    Furr, J.R.2    Bajorath, J.3
  • 85
  • 89
    • 0034351497 scopus 로고    scopus 로고
    • Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: Simultaneous optimization and structure-based diversity
    • Mason, J.S., Beno, B.R. Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: Simultaneous optimization and structure-based diversity. J. Mol. Graphics Modell. 2000, 18, 438-451.
    • (2000) J. Mol. Graphics Modell. , vol.18 , pp. 438-451
    • Mason, J.S.1    Beno, B.R.2
  • 93
    • 0032611934 scopus 로고    scopus 로고
    • Design of libraries to explore receptor sites
    • Murray, C.M., Cato, S.J. Design of libraries to explore receptor sites. J. Chem. Inf. Comput. Sci. 1999, 39, 46-50.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 46-50
    • Murray, C.M.1    Cato, S.J.2
  • 96
    • 33646127552 scopus 로고    scopus 로고
    • GRID, Molecular Discovery Limited: London, UK
    • GRID, Molecular Discovery Limited: London, UK.
  • 97
    • 0021871375 scopus 로고
    • A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
    • Goodford, P.J. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem. 1985, 28, 849-857.
    • (1985) J. Med. Chem. , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 98
    • 0030333470 scopus 로고    scopus 로고
    • Three-dimensional hydrogen-bond geometry and probability information from a crystal survey
    • Mills, J.E., Dean, P.M. Three-dimensional hydrogen-bond geometry and probability information from a crystal survey. J. Comput. Aided Mol. Des. 1996, 10, 607-622.
    • (1996) J. Comput. Aided Mol. Des. , vol.10 , pp. 607-622
    • Mills, J.E.1    Dean, P.M.2
  • 100
    • 2942668771 scopus 로고    scopus 로고
    • The design of screening libraries targeted at G-protein coupled receptors
    • Crossley, R. The design of screening libraries targeted at G-protein coupled receptors. Curr. Top. Med. Chem. 2004, 4, 581-589.
    • (2004) Curr. Top. Med. Chem. , vol.4 , pp. 581-589
    • Crossley, R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.