메뉴 건너뛰기




Volumn 11, Issue 1, 2009, Pages 178-185

Recent advances in structure-based virtual screening of G-Protein coupled receptors

Author keywords

GPCRs; Homology modeling; Virtual screening

Indexed keywords

ALPHA 1 ADRENERGIC RECEPTOR BLOCKING AGENT; ALPHA 1A ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR BLOCKING AGENT; BETA 2 ADRENERGIC RECEPTOR STIMULATING AGENT; CANNABINOID 2 RECEPTOR; CANNABINOID RECEPTOR ANTAGONIST; CARAZOLOL; CARVEDILOL; CORTICOTROPIN RELEASING FACTOR ANTAGONIST; CORTICOTROPIN RELEASING FACTOR RECEPTOR; DOPAMINE 2 RECEPTOR; G PROTEIN COUPLED RECEPTOR; GLUCAGON RECEPTOR; GUANIDINE DERIVATIVE; HISTAMINE H4 RECEPTOR; KAPPA OPIATE RECEPTOR; MELANIN CONCENTRATING HORMONE RECEPTOR 1; MELANIN CONCENTRATING HORMONE RECEPTOR 1 ANTAGONIST; METABOTROPIC RECEPTOR 5; PROTIRELIN RECEPTOR; RETINAL; SALVINORIN A;

EID: 65549163531     PISSN: 15507416     EISSN: None     Source Type: Journal    
DOI: 10.1208/s12248-009-9094-3     Document Type: Short Survey
Times cited : (28)

References (28)
  • 2
    • 0035800032 scopus 로고    scopus 로고
    • Advances in determination of a high-resolution three-dimensional structure of rhodopsin, a model of G-protein-coupled receptors (GPCRs)
    • D. C. Teller, T. Okada, C. A. Behnke, K. Palczewski, and R. E. Stenkamp. Advances in determination of a high-resolution three-dimensional structure of rhodopsin, a model of G-protein-coupled receptors (GPCRs). Biochemistry. 40:7761-7772 (2001).
    • (2001) Biochemistry , vol.40 , pp. 7761-7772
    • Teller, D.C.1    Okada, T.2    Behnke, C.A.3    Palczewski, K.4    Stenkamp, R.E.5
  • 8
    • 47049130668 scopus 로고    scopus 로고
    • Crystal structure of the ligand-free G-protein-coupled receptor opsin
    • J. H. Park, P. Scheerer, K. P. Hofmann, H. W. Choe, and O. P. Ernst. Crystal structure of the ligand-free G-protein-coupled receptor opsin. Nature. 454:183-187 (2008).
    • (2008) Nature , vol.454 , pp. 183-187
    • Park, J.H.1    Scheerer, P.2    Hofmann, K.P.3    Choe, H.W.4    Ernst, O.P.5
  • 10
    • 0037235663 scopus 로고    scopus 로고
    • Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets?
    • C. Bissantz, P. Bernard, M. Hibert, and D. Rognan. Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets? Proteins. 50:5-25 (2003).
    • (2003) Proteins , vol.50 , pp. 5-25
    • Bissantz, C.1    Bernard, P.2    Hibert, M.3    Rognan, D.4
  • 11
    • 23944454816 scopus 로고    scopus 로고
    • Virtual screening of biogenic amine-binding G-protein coupled receptors: Comparative evaluation of protein- and ligand-based virtual screening protocols
    • A. Evers, G. Hessler, H. Matter, and T. Klabunde. Virtual screening of biogenic amine-binding G-protein coupled receptors: Comparative evaluation of protein- and ligand-based virtual screening protocols. J. Med. Chem. 48:5448-5465 (2005).
    • (2005) J. Med. Chem. , vol.48 , pp. 5448-5465
    • Evers, A.1    Hessler, G.2    Matter, H.3    Klabunde, T.4
  • 12
    • 33646526072 scopus 로고    scopus 로고
    • I want a new drug: G-protein-coupled receptors in drug development
    • S. Schlyer, and R. Horuk. I want a new drug: G-protein-coupled receptors in drug development. Drug Discov. Today. 11:481-493 (2006).
    • (2006) Drug Discov. Today. , vol.11 , pp. 481-493
    • Schlyer, S.1    Horuk, R.2
  • 13
    • 33744551693 scopus 로고    scopus 로고
    • Structure-based virtual screening of chemical libraries for drug discovery
    • S. Ghosh, A. Nie, J. An, and Z. Huang. Structure-based virtual screening of chemical libraries for drug discovery. Curr. Opin. Chem. Biol. 10:194-202 (2006).
    • (2006) Curr. Opin. Chem. Biol. , vol.10 , pp. 194-202
    • Ghosh, S.1    Nie, A.2    An, J.3    Huang, Z.4
  • 14
    • 33745199815 scopus 로고    scopus 로고
    • Virtual ligand screening: Strategies, perspectives and limitations
    • G. Klebe. Virtual ligand screening: Strategies, perspectives and limitations. Drug Discov. Today. 11:580-594 (2006).
    • (2006) Drug Discov. Today. , vol.11 , pp. 580-594
    • Klebe, G.1
  • 15
    • 39849101195 scopus 로고    scopus 로고
    • Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery
    • S. Topiol, and M. Sabio. Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Bioorg. Med. Chem. Lett. 18:1598-1602 (2008).
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 1598-1602
    • Topiol, S.1    Sabio, M.2
  • 16
    • 53349102957 scopus 로고    scopus 로고
    • Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds
    • M. Sabio, K. Jones, and S. Topiol. Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds. Bioorg. Med. Chem. Lett. 18:5391-5395 (2008).
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 5391-5395
    • Sabio, M.1    Jones, K.2    Topiol, S.3
  • 17
    • 50249156843 scopus 로고    scopus 로고
    • Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor
    • C. de Graaf, and D. Rognan. Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor. J. Med. Chem. 51:4978-4985 (2008).
    • (2008) J. Med. Chem. , vol.51 , pp. 4978-4985
    • de Graaf, C.1    Rognan, D.2
  • 18
    • 33947581421 scopus 로고    scopus 로고
    • Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors
    • S. Kortagere, and W. J. Welsh. Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors. J. Comput. Aided Mol. Des. 20:789-802 (2006).
    • (2006) J. Comput. Aided Mol. Des. , vol.20 , pp. 789-802
    • Kortagere, S.1    Welsh, W.J.2
  • 20
    • 42949119821 scopus 로고    scopus 로고
    • Binding mode analysis and enrichment studies on homology models of the human histamine H4 receptor
    • R. Kiss, B. Noszal, A. Racz, A. Falus, D. Eros, and G. M. Keseru. Binding mode analysis and enrichment studies on homology models of the human histamine H4 receptor. Eur. J. Med. Chem. 43:1059-1070 (2008).
    • (2008) Eur. J. Med. Chem. , vol.43 , pp. 1059-1070
    • Kiss, R.1    Noszal, B.2    Racz, A.3    Falus, A.4    Eros, D.5    Keseru, G.M.6
  • 21
    • 34249277652 scopus 로고    scopus 로고
    • A combined ligand-based and target-based drug design approach for G-protein coupled receptors: Application to salvinorin A, a selective kappa opioid receptor agonist
    • N. Singh, G. Cheve, D. M. Ferguson, and C. R. McCurdy. A combined ligand-based and target-based drug design approach for G-protein coupled receptors: Application to salvinorin A, a selective kappa opioid receptor agonist. J. Comput. Aided Mol. Des. 20:471-493 (2006).
    • (2006) J. Comput. Aided Mol. Des. , vol.20 , pp. 471-493
    • Singh, N.1    Cheve, G.2    Ferguson, D.M.3    McCurdy, C.R.4
  • 23
    • 34547691007 scopus 로고    scopus 로고
    • GPCR structure-based virtual screening approach for CB2 antagonist search
    • J. Z. Chen, J. Wang, and X. Q. Xie. GPCR structure-based virtual screening approach for CB2 antagonist search. J. Chem. Inf. Model. 47:1626-1637 (2007).
    • (2007) J. Chem. Inf. Model. , vol.47 , pp. 1626-1637
    • Chen, J.Z.1    Wang, J.2    Xie, X.Q.3
  • 25
    • 39149097541 scopus 로고    scopus 로고
    • Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (ffar1) using virtual screening
    • I. G. Tikhonova, C. S. Sum, S. Neumann, S. Engel, B. M. Raaka, S. Costanzi, and M. C. Gershengorn. Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (ffar1) using virtual screening. J. Med. Chem. 51:625-633 (2008).
    • (2008) J. Med. Chem. , vol.51 , pp. 625-633
    • Tikhonova, I.G.1    Sum, C.S.2    Neumann, S.3    Engel, S.4    Raaka, B.M.5    Costanzi, S.6    Gershengorn, M.C.7
  • 27
    • 45749109114 scopus 로고    scopus 로고
    • Homology model-based virtual screening for GPCR ligands using docking and target-biased scoring
    • S. Radestock, T. Weil, and S. Renner. Homology model-based virtual screening for GPCR ligands using docking and target-biased scoring. J. Chem. Inf. Model. 48:1104-1117 (2008).
    • (2008) J. Chem. Inf. Model. , vol.48 , pp. 1104-1117
    • Radestock, S.1    Weil, T.2    Renner, S.3
  • 28
    • 51849091933 scopus 로고    scopus 로고
    • Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening
    • C. M. Taylor, Y. Barda, O. G. Kisselev, and G. R. Marshall. Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. J. Med. Chem. 51:5297-5303 (2008).
    • (2008) J. Med. Chem. , vol.51 , pp. 5297-5303
    • Taylor, C.M.1    Barda, Y.2    Kisselev, O.G.3    Marshall, G.R.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.