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Volumn 29, Issue 1, 2005, Pages 55-67

Assessment of chemical libraries for their druggability

Author keywords

12 Metric scoring function; Database score; Drug score; High throughput screening (HTS); Targeted compound libraries

Indexed keywords

CHEMICAL LABORATORIES; DATABASE SYSTEMS; DRUG PRODUCTS; GENES; GENETIC ENGINEERING; METABOLISM; MOLECULAR WEIGHT;

EID: 12444322042     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2004.11.003     Document Type: Article
Times cited : (72)

References (49)
  • 1
    • 0032572819 scopus 로고    scopus 로고
    • Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?
    • A. Ajay, W.P. Walters, and M.A. Murcko Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? J. Med. Chem. 41 1998 3314 3324
    • (1998) J. Med. Chem. , vol.41 , pp. 3314-3324
    • Ajay, A.1    Walters, W.P.2    Murcko, M.A.3
  • 2
    • 0036835460 scopus 로고    scopus 로고
    • Integration of virtual and high-throughput screening
    • J. Bajorath Integration of virtual and high-throughput screening Nat. Rev. Drug Discov. 1 2002 882 894
    • (2002) Nat. Rev. Drug Discov. , vol.1 , pp. 882-894
    • Bajorath, J.1
  • 3
    • 12444327679 scopus 로고    scopus 로고
    • Etude et développement de techniques QSAR pour la recherche de molécules d'intérêts thérapeutique
    • Université d'Orléans
    • Baurin, N., Etude et développement de techniques QSAR pour la recherche de molécules d'intérêts thérapeutique. Criblage virtuel et Analyse de chmiothèque, Université d'Orléans, 2002.
    • (2002) Criblage Virtuel et Analyse de Chmiothèque
    • Baurin, N.1
  • 5
    • 0024971003 scopus 로고
    • Graphical rules in steady and non-steady enzyme kinetics
    • K.C. Chou Graphical rules in steady and non-steady enzyme kinetics J. Biol. Chem. 264 1989 12074 12079
    • (1989) J. Biol. Chem. , vol.264 , pp. 12074-12079
    • Chou, K.C.1
  • 6
    • 0025021607 scopus 로고
    • Review: Applications of graph theory to enzyme kinetics and protein folding kinetics. Steady and non-steady state systems
    • Chou, 1990. Review: Applications of graph theory to enzyme kinetics and protein folding kinetics. Steady and non-steady state systems. Biophys. Chem. 35, 1-24.
    • (1990) Biophys. Chem. , vol.35 , pp. 1-24
    • Chou1
  • 7
    • 0027219970 scopus 로고
    • A vectorized sequence-coupling model for predicting HIV protease cleavage sites in proteins
    • K.C. Chou A vectorized sequence-coupling model for predicting HIV protease cleavage sites in proteins J. Biol. Chem. 268 1993 16938 16948
    • (1993) J. Biol. Chem. , vol.268 , pp. 16938-16948
    • Chou, K.C.1
  • 8
    • 0030049315 scopus 로고    scopus 로고
    • Review: Prediction of HIV protease cleavage sites in proteins
    • K.C. Chou Review: prediction of HIV protease cleavage sites in proteins Anal. Biochem. 233 1996 1 14
    • (1996) Anal. Biochem. , vol.233 , pp. 1-14
    • Chou, K.C.1
  • 9
    • 0038002153 scopus 로고    scopus 로고
    • A new branch of proteomics: Prediction of protein cellular attributes
    • P.W. Weinrer Q. Lu Eaton Publishing Westborough, MA
    • K.C. Chou A new branch of proteomics: prediction of protein cellular attributes P.W. Weinrer Q. Lu Gene Cloning & Expression Technologies 2002 Eaton Publishing Westborough, MA 57 70 Chapter 4
    • (2002) Gene Cloning & Expression Technologies , pp. 57-70
    • Chou, K.C.1
  • 10
    • 2642517838 scopus 로고    scopus 로고
    • Insights from modelling the 3D dtructure of the extracellular domain of alpha7 nicotinic acetylcholine receptor
    • K.C. Chou Insights from modelling the 3D dtructure of the extracellular domain of alpha7 nicotinic acetylcholine receptor Biochem. Biophys. Res. Commun. 319 2004 433 438
    • (2004) Biochem. Biophys. Res. Commun. , vol.319 , pp. 433-438
    • Chou, K.C.1
  • 11
    • 4444261145 scopus 로고    scopus 로고
    • Insights from modelling three-dimensional structures of the human potassium and sodium channels
    • K.C. Chou Insights from modelling three-dimensional structures of the human potassium and sodium channels J. Prot. Res. 3 2004 856 861
    • (2004) J. Prot. Res. , vol.3 , pp. 856-861
    • Chou, K.C.1
  • 12
    • 1642377868 scopus 로고    scopus 로고
    • Modelling extracellular domains of GABA-A receptors: Subtypes 1, 2, 3, and 5
    • K.C. Chou Modelling extracellular domains of GABA-A receptors: subtypes 1, 2, 3, and 5 Biochem. Biophys. Res. Commun. 316 2004 636 642
    • (2004) Biochem. Biophys. Res. Commun. , vol.316 , pp. 636-642
    • Chou, K.C.1
  • 13
    • 3242792729 scopus 로고    scopus 로고
    • Review: Structural bioinformatics and its impact to biomedical science
    • K.C. Chou Review: structural bioinformatics and its impact to biomedical science Curr. Med. Chem. 11 2004 2105 2134
    • (2004) Curr. Med. Chem. , vol.11 , pp. 2105-2134
    • Chou, K.C.1
  • 14
    • 0037195776 scopus 로고    scopus 로고
    • Using functional domain composition and support vector machines for prediction of protein subcellular location
    • K.C. Chou, and Y.D. Cai Using functional domain composition and support vector machines for prediction of protein subcellular location J. Biol. Chem. 277 2002 45765 45769
    • (2002) J. Biol. Chem. , vol.277 , pp. 45765-45769
    • Chou, K.C.1    Cai, Y.D.2
  • 15
    • 0345305854 scopus 로고    scopus 로고
    • Prediction and classification of protein subcellular location: Sequence-order effect and pseudo amino acid composition
    • K.C. Chou, and Y.D. Cai Prediction and classification of protein subcellular location: sequence-order effect and pseudo amino acid composition J. Cell. Biochem. 90 2003 1250 1260 Addendum, ibid, 2004, 91, no. 5, p. 1085
    • (2003) J. Cell. Biochem. , vol.90 , pp. 1250-1260
    • Chou, K.C.1    Cai, Y.D.2
  • 17
    • 7244251950 scopus 로고    scopus 로고
    • Predicting enzyme family class in a hybridization space
    • K.C. Chou, and Y.D. Cai Predicting enzyme family class in a hybridization space Protein Science 13 2004 2857 2863
    • (2004) Protein Science , vol.13 , pp. 2857-2863
    • Chou, K.C.1    Cai, Y.D.2
  • 18
    • 7644239850 scopus 로고    scopus 로고
    • Using GO-PseAA predictor to predict enzyme sub-class
    • K.C. Chou, and Y.D. Cai Using GO-PseAA predictor to predict enzyme sub-class Biochem. Biophys. Res. Comm. 325 2004 506 509
    • (2004) Biochem. Biophys. Res. Comm. , vol.325 , pp. 506-509
    • Chou, K.C.1    Cai, Y.D.2
  • 19
    • 0036767228 scopus 로고    scopus 로고
    • Bioinformatical analysis of G-protein-coupled receptors
    • K.C. Chou, and D.W. Elrod Bioinformatical analysis of G-protein-coupled receptors J. Prot. Res. 1 2002 429 433
    • (2002) J. Prot. Res. , vol.1 , pp. 429-433
    • Chou, K.C.1    Elrod, D.W.2
  • 20
    • 0037783143 scopus 로고    scopus 로고
    • Prediction of enzyme family classes
    • K.C. Chou, and D.W. Elrod Prediction of enzyme family classes J. Prot. Res. 2 2003 183 190
    • (2003) J. Prot. Res. , vol.2 , pp. 183-190
    • Chou, K.C.1    Elrod, D.W.2
  • 21
    • 0036079733 scopus 로고    scopus 로고
    • Prediction of the tertiary structure of the beta-secretase zymogen
    • K.C. Chou, and W.J. Howe Prediction of the tertiary structure of the beta-secretase zymogen Biochem. Biophys. Res. Commun. 292 2002 702 708
    • (2002) Biochem. Biophys. Res. Commun. , vol.292 , pp. 702-708
    • Chou, K.C.1    Howe, W.J.2
  • 22
    • 0031449933 scopus 로고    scopus 로고
    • Prediction of the tertiary structure and substrate binding site of caspase-8
    • K.C. Chou, D. Jones, and R.L. Heinrikson Prediction of the tertiary structure and substrate binding site of caspase-8 FEBS Lett. 419 1997 49 54
    • (1997) FEBS Lett. , vol.419 , pp. 49-54
    • Chou, K.C.1    Jones, D.2    Heinrikson, R.L.3
  • 23
    • 0028071544 scopus 로고
    • Review: Steady-state inhibition kinetics of precessive nucleic acid polymerases and nucleases
    • K.C. Chou, K.J. Kezdy, and F. Reusser Review: Steady-state inhibition kinetics of precessive nucleic acid polymerases and nucleases Anal. Biochem. 221 1994 217 230
    • (1994) Anal. Biochem. , vol.221 , pp. 217-230
    • Chou, K.C.1    Kezdy, K.J.2    Reusser, F.3
  • 24
    • 0033532596 scopus 로고    scopus 로고
    • A model of the complex between cyclin-dependent kinase 5(Cdk5) and the activation domain of neuronal Cdk5 activator
    • K.C. Chou, K.D. Watenpaugh, and R.L. Heinrikson A model of the complex between cyclin-dependent kinase 5(Cdk5) and the activation domain of neuronal Cdk5 activator Biochem. Biophys. Res. Commun. 259 1999 420 428
    • (1999) Biochem. Biophys. Res. Commun. , vol.259 , pp. 420-428
    • Chou, K.C.1    Watenpaugh, K.D.2    Heinrikson, R.L.3
  • 25
    • 0041848237 scopus 로고    scopus 로고
    • Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
    • K.C. Chou, D.Q. Wei, and W.Z. Zhong Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS Biochem. Biophys. Res. Comm. 308 2003 148 151 Erratum: ibid, vol. 310, 675
    • (2003) Biochem. Biophys. Res. Comm. , vol.308 , pp. 148-151
    • Chou, K.C.1    Wei, D.Q.2    Zhong, W.Z.3
  • 26
    • 0027054450 scopus 로고
    • Diagrammatization of codon usage in 339 HIV proteins and its biological implication
    • K.C. Chou, and C.T. Zhang Diagrammatization of codon usage in 339 HIV proteins and its biological implication AIDS Research and Human Retroviruses 8 1992 1967 1976
    • (1992) AIDS Research and Human Retroviruses , vol.8 , pp. 1967-1976
    • Chou, K.C.1    Zhang, C.T.2
  • 28
    • 0003648115 scopus 로고
    • The Wisconsin sequence analysis package
    • Madison Wisconsin
    • J. Devereux The Wisconsin sequence analysis package Genetic Computer Group (GCG) 1994 Madison Wisconsin
    • (1994) Genetic Computer Group (GCG)
    • Devereux, J.1
  • 33
    • 0034461768 scopus 로고    scopus 로고
    • Drug-like properties and the causes of poor solubility and poor permeability
    • C.A. Lipinski Drug-like properties and the causes of poor solubility and poor permeability J. Pharmacol. Toxicol. Methods 44 2000 235 249
    • (2000) J. Pharmacol. Toxicol. Methods , vol.44 , pp. 235-249
    • Lipinski, C.A.1
  • 36
    • 0004313709 scopus 로고    scopus 로고
    • chemical computing group, Montreal, Que., Canada
    • MOE, molecular operating environment, chemical computing group, Montreal, Que., Canada, 2003.
    • (2003) Molecular Operating Environment
  • 37
    • 0034073605 scopus 로고    scopus 로고
    • Property distribution of drug-related chemical databases
    • T.I. Oprea Property distribution of drug-related chemical databases J. Comput. Aided Mol. Des. 14 2000 251 264
    • (2000) J. Comput. Aided Mol. Des. , vol.14 , pp. 251-264
    • Oprea, T.I.1
  • 39
    • 0030756360 scopus 로고    scopus 로고
    • Reactive compounds and in vitro false positives in HTS
    • G.M. Rishton Reactive compounds and in vitro false positives in HTS Drug Discov. Today 2 1997 382 384
    • (1997) Drug Discov. Today , vol.2 , pp. 382-384
    • Rishton, G.M.1
  • 40
    • 0037439447 scopus 로고    scopus 로고
    • Nonlead-likeness and lead-likeness in biochemical screening
    • G.M. Rishton Nonlead-likeness and lead-likeness in biochemical screening Drug Discov. Today. 8 2003 86 96
    • (2003) Drug Discov. Today. , vol.8 , pp. 86-96
    • Rishton, G.M.1
  • 44
    • 2942750460 scopus 로고    scopus 로고
    • Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore points
    • S. Sirois, D.Q. Wei, Q. Du, and K.C. Chou Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore points J. Chem. Inf. Comput. Sci. 44 2004 1111 1122
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 1111-1122
    • Sirois, S.1    Wei, D.Q.2    Du, Q.3    Chou, K.C.4
  • 47
    • 0001509942 scopus 로고    scopus 로고
    • Prediction of physicochemical parameters by atomic contributions
    • S.A. Wildman, and G.M. Crippen Prediction of physicochemical parameters by atomic contributions J. Chem. Inf. Comput. Sci. 39 1999 868 873
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 868-873
    • Wildman, S.A.1    Crippen, G.M.2
  • 48
    • 0034266313 scopus 로고    scopus 로고
    • Drug-like index: A new approach to measure drug-like compounds and their diversity
    • J. Xu, and J. Stevenson Drug-like index: a new approach to measure drug-like compounds and their diversity J. Chem. Inf. Comput. Sci. 40 2000 1177 1187
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 1177-1187
    • Xu, J.1    Stevenson, J.2
  • 49
    • 0021764092 scopus 로고
    • An extension of Chou's graphical rules for deriving enzyme kinetic equations to system involving parallel reaction pathways
    • G.P. Zhou, and M.H. Deng An extension of Chou's graphical rules for deriving enzyme kinetic equations to system involving parallel reaction pathways Biochem. J. 222 1984 169 176
    • (1984) Biochem. J. , vol.222 , pp. 169-176
    • Zhou, G.P.1    Deng, M.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.