메뉴 건너뛰기




Volumn 28, Issue 18, 2012, Pages

Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers

Author keywords

[No Author keywords available]

Indexed keywords

DRUG; LIGAND; PROTEIN;

EID: 84866467225     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/bts412     Document Type: Article
Times cited : (94)

References (28)
  • 1
    • 33846363963 scopus 로고    scopus 로고
    • Structure-activity relationships for in vitro and in vivo toxicity
    • Blagg,J. (2006) Structure-activity relationships for in vitro and in vivo toxicity. Annu. Rep. Med. Chem., 41, 353-368.
    • (2006) Annu. Rep. Med. Chem , vol.41 , pp. 353-368
    • Blagg, J.1
  • 2
    • 70349914727 scopus 로고    scopus 로고
    • PubChem as a source of polypharmacology
    • Chen,B. et al. (2009) PubChem as a source of polypharmacology. J. Chem. Inf. Model., 49, 2044-2055.
    • (2009) J. Chem. Inf. Model , vol.49 , pp. 2044-2055
    • Chen B.et, al.1
  • 3
    • 75849153303 scopus 로고    scopus 로고
    • The Universal Protein Resource (UniProt) in 2010
    • Consortium,T.U. (2010) The Universal Protein Resource (UniProt) in 2010. Nucleic Acids Res., 38, D142-D148.
    • (2010) Nucleic Acids Res , vol.38
    • Consortium, T.U.1
  • 4
    • 11144341956 scopus 로고    scopus 로고
    • Chemical space and biology
    • Dobson,C. (2004) Chemical space and biology. Nature, 432, 824-828.
    • (2004) Nature , vol.432 , pp. 824-828
    • Dobson, C.1
  • 5
    • 38349114038 scopus 로고    scopus 로고
    • Genome scale enzyme-metabolite and drug-target interaction predictions using the signature molecular descriptor
    • Faulon,J. et al. (2008) Genome scale enzyme-metabolite and drug-target interaction predictions using the signature molecular descriptor. Bioinformatics, 24, 225-233.
    • (2008) Bioinformatics , vol.24 , pp. 225-233
    • Faulon, J.1
  • 6
    • 38549146894 scopus 로고    scopus 로고
    • The Pfam protein families database
    • Finn,R. et al. (2008) The Pfam protein families database. Nucleic Acids Res., 36, D281-D288.
    • (2008) Nucleic Acids Res , vol.36
    • Finn, R.1
  • 7
    • 54949110209 scopus 로고    scopus 로고
    • Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem
    • Han,L. et al. (2008) Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem. BMC Bioinformatics, 9, 401.
    • (2008) BMC Bioinformatics , vol.9 , pp. 401
    • Han, L.1
  • 8
    • 77950423796 scopus 로고    scopus 로고
    • A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
    • Hoffmann,B. et al. (2010) A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction. BMC Bioinformatics, 22, 99.
    • (2010) BMC Bioinformatics , vol.22 , pp. 99
    • Hoffmann, B.1
  • 10
    • 52749085437 scopus 로고    scopus 로고
    • Protein-ligand interaction prediction: an improved chemogenomics approach
    • Jacob,L. and Vert,J. (2008) Protein-ligand interaction prediction: an improved chemogenomics approach. Bioinformatics, 24, 2149-2156.
    • (2008) Bioinformatics , vol.24 , pp. 2149-2156
    • Jacob, L.1    Vert, J.2
  • 11
    • 33644874819 scopus 로고    scopus 로고
    • From genomics to chemical genomics: new developments in KEGG
    • Kanehisa,M. et al. (2006) From genomics to chemical genomics: new developments in KEGG. Nucleic Acids Res., 34, D354-D357.
    • (2006) Nucleic Acids Res , vol.34
    • Kanehisa, M.1
  • 12
    • 70449634957 scopus 로고    scopus 로고
    • Predicting new molecular targets for known drugs
    • Keiser,M. et al. (2009) Predicting new molecular targets for known drugs. Nature, 462, 175-181.
    • (2009) Nature , vol.462 , pp. 175-181
    • Keiser, M.1
  • 13
    • 54949134905 scopus 로고    scopus 로고
    • Chemical substructures that enrich for biological activity
    • Klekota,J. and Roth,F. (2008) Chemical substructures that enrich for biological activity. Bioinformatics, 24, 2518-2525.
    • (2008) Bioinformatics , vol.24 , pp. 2518-2525
    • Klekota, J.1    Roth, F.2
  • 14
    • 70349768241 scopus 로고    scopus 로고
    • Docking and chemoinformatic screens for new ligands and targets
    • Kolb,P. et al. (2009) Docking and chemoinformatic screens for new ligands and targets. Curr. Opin. Biotech., 20, 429-436.
    • (2009) Curr. Opin. Biotech , vol.20 , pp. 429-436
    • Kolb, P.1
  • 15
    • 80053453210 scopus 로고    scopus 로고
    • A computational approach to finding novel targets for existing drugs
    • Li,Y. et al. (2011) A computational approach to finding novel targets for existing drugs. PLoS Comput. Biol., 7, e1002139.
    • (2011) PLoS Comput. Biol , vol.7
    • Li, Y.1
  • 16
    • 19544389524 scopus 로고    scopus 로고
    • Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons
    • Morris,R. et al. (2005) Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons. Bioinformatics, 21, 2347-2355.
    • (2005) Bioinformatics , vol.21 , pp. 2347-2355
    • Morris, R.1
  • 17
    • 49649083383 scopus 로고    scopus 로고
    • Detection of 3D atomic similarities and their use in the discrimination of small molecule protein-binding sites
    • Najmanovich,R. et al. (2008) Detection of 3D atomic similarities and their use in the discrimination of small molecule protein-binding sites. Bioinformatics, 24, i105-i111.
    • (2008) Bioinformatics , vol.24
    • Najmanovich, R.1
  • 18
    • 79955969387 scopus 로고    scopus 로고
    • Predicting drug side-effect profiles: a chemical fragment-based approach
    • Pauwels,E. et al. (2011) Predicting drug side-effect profiles: a chemical fragment-based approach. BMC Bioinformatics, 12, 169.
    • (2011) BMC Bioinformatics , vol.12 , pp. 169
    • Pauwels, E.1
  • 19
    • 34248371273 scopus 로고    scopus 로고
    • Predicting protein-protein interactions based only on sequences information
    • Shen,J. et al. (2007) Predicting protein-protein interactions based only on sequences information. Proc. Natl Acad. Sci., 104, 4337.
    • (2007) Proc. Natl Acad. Sci , vol.104 , pp. 4337
    • Shen, J.1
  • 20
    • 66149139737 scopus 로고    scopus 로고
    • Extraction and analysis of chemical modification patterns in drug development
    • Shigemizu,D. et al. (2009) Extraction and analysis of chemical modification patterns in drug development. J. Chem. Inform. Model., 49, 1122-1129.
    • (2009) J. Chem. Inform. Model , vol.49 , pp. 1122-1129
    • Shigemizu, D.1
  • 21
    • 0034331004 scopus 로고    scopus 로고
    • Chemical genetics: ligand-based discovery of gene function
    • Stockwell,B. (2000) Chemical genetics: ligand-based discovery of gene function. Nat. Rev. Genet., 1, 116-125.
    • (2000) Nat. Rev. Genet , vol.1 , pp. 116-125
    • Stockwell, B.1
  • 22
    • 79952031520 scopus 로고    scopus 로고
    • Mining significant substructure pairs for interpreting polypharmacology in drug-target network
    • e
    • Takigawa,I. et al. (2011) Mining significant substructure pairs for interpreting polypharmacology in drug-target network. PloS One, 6, e16999.
    • (2011) PloS One , vol.6
    • Takigawa, I.1
  • 23
    • 26944446576 scopus 로고    scopus 로고
    • Keynote review: in vitro safety pharmacology profiling: an essential tool for successful drug development
    • Whitebread,S. et al. (2005) Keynote review: in vitro safety pharmacology profiling: an essential tool for successful drug development. Drug Disco. Today, 10, 1421-1433.
    • (2005) Drug Disco. Today , vol.10 , pp. 1421-1433
    • Whitebread, S.1
  • 24
    • 33644876210 scopus 로고    scopus 로고
    • DrugBank: a comprehensive resource for in silico drug discovery and exploration
    • Wishart,D. et al. (2006) DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res., 34 (Suppl 1), D668-D672.
    • (2006) Nucleic Acids Res , vol.34 , Issue.SUPPL. 1
    • Wishart, D.1
  • 25
    • 79952345084 scopus 로고    scopus 로고
    • Analysis of multiple compound-protein interactions reveals novel bioactive molecules
    • Yabuuchi,H. et al. (2011) Analysis of multiple compound-protein interactions reveals novel bioactive molecules. Mol. Syst. Biol., 7, 472.
    • (2011) Mol. Syst. Biol , vol.7 , pp. 472
    • Yabuuchi, H.1
  • 26
    • 46249090791 scopus 로고    scopus 로고
    • Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
    • Yamanishi,Y. et al. (2008) Prediction of drug-target interaction networks from the integration of chemical and genomic spaces. Bioinformatics, 24, i232-i240.
    • (2008) Bioinformatics , vol.24
    • Yamanishi, Y.1
  • 27
    • 79960262560 scopus 로고    scopus 로고
    • Extracting sets of chemical substructures and protein domains governing drug-target interactions
    • Yamanishi,Y. et al. (2011) Extracting sets of chemical substructures and protein domains governing drug-target interactions. J. Chem. Inform. Model., 51, 1183-1194.
    • (2011) J. Chem. Inform. Model , vol.51 , pp. 1183-1194
    • Yamanishi, Y.1
  • 28
    • 68249128647 scopus 로고    scopus 로고
    • Harvesting candidate genes responsible for serious adverse drug reactions from a chemical-protein interactome
    • Yang,L. et al. (2009) Harvesting candidate genes responsible for serious adverse drug reactions from a chemical-protein interactome. PLoS Comput. Biol., 5, e1000441.
    • (2009) PLoS Comput. Biol , vol.5
    • Yang, L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.