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Volumn 4, Issue 5, 2012, Pages 593-602

Virtual compound screening in drug discovery

Author keywords

[No Author keywords available]

Indexed keywords

ESTRADIOL;

EID: 84859450331     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.12.19     Document Type: Review
Times cited : (47)

References (33)
  • 1
    • 0030815956 scopus 로고    scopus 로고
    • A virtual screening approach applied to the search for trypanothione reductase inhibitors
    • DOI 10.1021/jm9603781
    • Horvath D. A virtual screening approach applied to the search for trypanothione reductase inhibitors. J. Med. Chem. 40(15), 2412-2423 (1997). (Pubitemid 27342575)
    • (1997) Journal of Medicinal Chemistry , vol.40 , Issue.15 , pp. 2412-2423
    • Horvath, D.1
  • 3
    • 0035002134 scopus 로고    scopus 로고
    • Virtual screening: An effective tool for lead structure discovery?
    • DOI 10.2174/1381612013397861
    • Langer T, Hoffmann RD. Virtual screening: An effective tool for lead structure discovery. Curr. Pharm. Design 7(7), 509-527 (2001). (Pubitemid 32422003)
    • (2001) Current Pharmaceutical Design , vol.7 , Issue.7 , pp. 509-527
    • Langer, T.1    Hoffmann, R.D.2
  • 4
    • 1542635664 scopus 로고    scopus 로고
    • Retrospect and prospect of virtual screening in drug discovery
    • Xu H, Agrafiotis DK. Retrospect and prospect of virtual screening in drug discovery. Curr. Top. Med. Chem. 2(12), 1305-1320 (2002).
    • (2002) Curr. Top. Med. Chem. , vol.2 , Issue.12 , pp. 1305-1320
    • Xu, H.1    Agrafiotis, D.K.2
  • 5
    • 1642585614 scopus 로고    scopus 로고
    • Virtual high-throughput in silico screening
    • PII S1478528203023596
    • Seifert MHJ, Wolf K, Vitt D. Virtual high-Throughput in silico screening. Drug Dicov. Today Biosilico. 1(4), 143-149 (2003). (Pubitemid 40416767)
    • (2003) Drug Discovery Today: BIOSILICO , vol.1 , Issue.4 , pp. 143-149
    • Seifert, M.H.J.1    Wolf, K.2    Vitt, D.3
  • 6
    • 77649220192 scopus 로고    scopus 로고
    • Current trends in ligand-based virtual screening: Molecular representations, data mining methods, new application areas, and performance evaluation
    • Geppert H, Vogt M, Bajorath J. Current trends in ligand-based virtual screening: Molecular representations, data mining methods, new application areas, and performance evaluation. J. Chem. Inf. Model. 50(2), 205-216 (2010).
    • (2010) J. Chem. Inf. Model. , vol.50 , Issue.2 , pp. 205-216
    • Geppert, H.1    Vogt, M.2    Bajorath, J.3
  • 7
    • 79956024935 scopus 로고    scopus 로고
    • State-of-The-art in ligand-based virtual screening
    • Ripphausen P, Nisius B, Bajorath J. State-of-The-art in ligand-based virtual screening. Drug Discov. Today 16(9-10), 372-376 (2011).
    • (2011) Drug Discov. Today , vol.16 , Issue.9-10 , pp. 372-376
    • Ripphausen, P.1    Nisius, B.2    Bajorath, J.3
  • 8
    • 0037107887 scopus 로고    scopus 로고
    • Structure-based virtual screening: An overview
    • Lyne P. Structure-based virtual screening: An overview. Drug Discov. Today 7(20), 1047-1055 (2002).
    • (2002) Drug Discov. Today , vol.7 , Issue.20 , pp. 1047-1055
    • Lyne, P.1
  • 10
    • 77954061005 scopus 로고    scopus 로고
    • Structure-based virtual screening
    • Polgar T, Keseru GM. Structure-based virtual screening. Front. Drug Des. Discov. 3(1), 477-502 (2007).
    • (2007) Front. Drug Des. Discov. , vol.3 , Issue.1 , pp. 477-502
    • Polgar, T.1    Keseru, G.M.2
  • 11
    • 77954818699 scopus 로고    scopus 로고
    • Pharmacophore modeling and applications in drug discovery: Challenges and recent advances
    • Yang S-Y. Pharmacophore modeling and applications in drug discovery: Challenges and recent advances. Drug Discov. Today 15(1-12), 444-450 (2010).
    • (2010) Drug Discov. Today , vol.15 , Issue.1-12 , pp. 444-450
    • Yang, S.-Y.1
  • 12
    • 77749326688 scopus 로고    scopus 로고
    • Pharmacophore-based virtual screening: A review of recent applications
    • Kim K-H, Kim ND, Seong B-L. Pharmacophore-based virtual screening: A review of recent applications. Expert Opin. Drug Discov. 5(3), 205-222 (2010).
    • (2010) Expert Opin. Drug Discov. , vol.5 , Issue.3 , pp. 205-222
    • Kim, K.-H.1    Kim, N.D.2    Seong, B.-L.3
  • 13
    • 50149103756 scopus 로고    scopus 로고
    • Synergies of virtual screening approaches
    • Muegge I. Synergies of virtual screening approaches. Mini Rev. Med. Chem. 8(9), 927-933 (2008).
    • (2008) Mini Rev. Med. Chem. , vol.8 , Issue.9 , pp. 927-933
    • Muegge, I.1
  • 14
    • 78650352933 scopus 로고    scopus 로고
    • Quo vadis, virtual screening? A comprehensive survey of prospective applications
    • Ripphausen P, Nisius B, Peltason L, Bajorath J. Quo vadis, virtual screening? A comprehensive survey of prospective applications. J. Med. Chem. 53(24), 8461-8467 (2010).
    • (2010) J. Med. Chem. , vol.53 , Issue.24 , pp. 8461-8467
    • Ripphausen, P.1    Nisius, B.2    Peltason, L.3    Bajorath, J.4
  • 15
    • 84859468933 scopus 로고    scopus 로고
    • Analysis of structure-based virtual screening studies and characterization of identified active compounds
    • Ripphausen P, Stumpfe D, Bajorath J. Analysis of structure-based virtual screening studies and characterization of identified active compounds. Future Med. Chem. 4(5), 601-613 (2012).
    • (2012) Future Med. Chem. , vol.4 , Issue.5 , pp. 601-613
    • Ripphausen, P.1    Stumpfe, D.2    Bajorath, J.3
  • 16
    • 0033523672 scopus 로고    scopus 로고
    • 'Scaffold-Hopping' by topological pharmacophore search: A contribution to virtual screening
    • DOI 10.1002/(SICI)1521-3773(19991004)38:19<2894::AID-ANIE2894>3.0. CO;2-F
    • Schneider G, Neidhart W, Giller T, Schmid, G. "Scaffold- hopping" by topological pharmacophore search: A contribution to virtual screening. Angew. Chem. Int. Ed. 38(19) 2894-2896 (1999). (Pubitemid 29479958)
    • (1999) Angewandte Chemie - International Edition , vol.38 , Issue.19 , pp. 2894-2896
    • Schneider, G.1    Neidhart, W.2    Giller, T.3    Schmid, G.4
  • 17
    • 80052002666 scopus 로고    scopus 로고
    • Lessons learned from molecular scaffold analysis
    • Hu Y, Stumpfe D, Bajorath J. Lessons learned from molecular scaffold analysis. J. Chem. Inf. Model. 51(8), 1742-1753 (2011).
    • (2011) J. Chem. Inf. Model. , vol.51 , Issue.8 , pp. 1742-1753
    • Hu, Y.1    Stumpfe, D.2    Bajorath, J.3
  • 18
    • 33750701141 scopus 로고    scopus 로고
    • On scaffolds and hopping in medicinal chemistry
    • DOI 10.2174/138955706778742768
    • Brown N, Jacoby E. On scaffolds and hopping in medicinal chemistry. Mini Rev. Med. Chem. 6(11), 1217-1229 (2006). (Pubitemid 44697101)
    • (2006) Mini-Reviews in Medicinal Chemistry , vol.6 , Issue.11 , pp. 1217-1229
    • Brown, N.1    Jacoby, E.2
  • 19
    • 80054899347 scopus 로고    scopus 로고
    • Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential
    • Li R, Stumpfe D, Vogt M, Geppert H, Bajorath J. Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential. J. Chem. Inf. Model. 51(10), 2507-2514 (2011).
    • (2011) J. Chem. Inf. Model. , vol.51 , Issue.10 , pp. 2507-2514
    • Li, R.1    Stumpfe, D.2    Vogt, M.3    Geppert, H.4    Bajorath, J.5
  • 20
    • 80054939813 scopus 로고    scopus 로고
    • Reprovis-DB: A benchmark system for ligand-based virtual screening derived from reproducible prospective applications
    • Ripphausen P, Wassermann AM, Bajorath J. Reprovis-DB: A benchmark system for ligand-based virtual screening derived from reproducible prospective applications. J. Chem. Inf. Model. 51(10), 2467-2473 (2011).
    • (2011) J. Chem. Inf. Model. , vol.51 , Issue.10 , pp. 2467-2473
    • Ripphausen, P.1    Wassermann, A.M.2    Bajorath, J.3
  • 21
    • 77955401026 scopus 로고    scopus 로고
    • Scaffold hopping using two-dimensional fingerprints: True potential, black magic, or a hopeless endeavor? Guidelines for virtual screening
    • Vogt M, Stumpfe D, Geppert H, Bajorath J. Scaffold hopping using two-dimensional fingerprints: True potential, black magic, or a hopeless endeavor? Guidelines for virtual screening. J. Med. Chem. 53(15), 5707-5715 (2010).
    • (2010) J. Med. Chem. , vol.53 , Issue.15 , pp. 5707-5715
    • Vogt, M.1    Stumpfe, D.2    Geppert, H.3    Bajorath, J.4
  • 23
    • 80051961815 scopus 로고    scopus 로고
    • Applied virtual screening: Strategies, recommendations, and caveats
    • In: VCH, Weinheim, Germany. Virtual Screening. Principles, Challenges, and Practical Guidelines. C Sotriffer (Ed.). Wiley
    • Stumpfe D, Bajorath J. Applied virtual screening: Strategies, recommendations, and caveats. In: Methods and Principles in Medicinal Chemistry. Virtual Screening. Principles, Challenges, and Practical Guidelines. C Sotriffer (Ed.). Wiley-VCH, Weinheim, Germany, 73-103 (2011).
    • (2011) Methods and Principles in Medicinal Chemistry , pp. 73-103
    • Stumpfe, D.1    Bajorath, J.2
  • 24
    • 33646366423 scopus 로고    scopus 로고
    • Virtual and biomolecular screening converge on a selective agonist for GPR30
    • Bologa CG, Revankar CM, Young SM et al. Virtual and biomolecular screening converge on a selective agonist for GPR30. Nat. Chem. Biol. 2(4), 207-212 (2006).
    • (2006) NatChem. Biol. , vol.2 , Issue.4 , pp. 207-212
    • Bologa, C.G.1    Revankar, C.M.2    Young, S.M.3
  • 25
    • 77957221382 scopus 로고    scopus 로고
    • Elaborate ligand-based modeling reveals new nanomolar heat shock protein 90a inhibitors
    • Al-Sha'er MA, Taha MO. Elaborate ligand-based modeling reveals new nanomolar heat shock protein 90a inhibitors. J. Chem. Inf. Model. 50(9), 1706-1723 (2010).
    • (2010) J. Chem. Inf. Model. , vol.50 , Issue.9 , pp. 1706-1723
    • Al-Sha'er, M.A.1    Taha, M.O.2
  • 26
    • 77649204282 scopus 로고    scopus 로고
    • Structure-based discovery of novel chemotypes for adenosine A2A receptor antagonists
    • Katritch V, Jaakola V-P,Lane JR et al. Structure-based discovery of novel chemotypes for adenosine A2A receptor antagonists. J. Med. Chem. 53(4), 1799-1809 (2010).
    • (2010) J. Med. Chem. , vol.53 , Issue.4 , pp. 1799-1809
    • Katritch, V.1    Jaakola, V.-P.2    Lane, J.R.3
  • 27
    • 77956905367 scopus 로고    scopus 로고
    • Targeting multifunctional proteins by virtual screening: Structurally diverse cytohesin inhibitors with differentiated biological functions
    • Stumpfe D, Bill A, Novak N et al. Targeting multifunctional proteins by virtual screening: Structurally diverse cytohesin inhibitors with differentiated biological functions. ACS Chem. Biol. 5(9), 839-849 (2010).
    • (2010) ACS Chem. Biol. , vol.5 , Issue.9 , pp. 839-849
    • Stumpfe, D.1    Bill, A.2    Novak, N.3
  • 28
    • 79957756317 scopus 로고    scopus 로고
    • A homogeneous fluorescence resonance energy transfer system for monitoring the activation of a protein switch in real time
    • Bill A, Blockus H, Stumpfe D et al. A homogeneous fluorescence resonance energy transfer system for monitoring the activation of a protein switch in real time. J. Am. Chem. Soc. 133(21), 8372-8379 (2011).
    • (2011) J. Am. Chem. Soc. , vol.133 , Issue.21 , pp. 8372-8379
    • Bill, A.1    Blockus, H.2    Stumpfe, D.3
  • 29
    • 0036835460 scopus 로고    scopus 로고
    • Integration of virtual and high-throughput screening
    • DOI 10.1038/nrd941
    • Bajorath J. Integration of virtual and high-Throughput screening. Nat. Rev. Drug Discov. 1(11), 882-894 (2002). (Pubitemid 37361583)
    • (2002) Nature Reviews Drug Discovery , vol.1 , Issue.11 , pp. 882-894
    • Bajorath, J.1
  • 30
    • 80054916367 scopus 로고    scopus 로고
    • Integration of virtual and high throughput screening in lead discovery settings
    • Polgar T, Keseru GM. Integration of virtual and high throughput screening in lead discovery settings. Comb. Chem. High Throughput Screen. 14(10), 889-897 (2011).
    • (2011) Comb. Chem. High Throughput Screen. , vol.14 , Issue.10 , pp. 889-897
    • Polgar, T.1    Keseru, G.M.2


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