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Volumn 10, Issue 1, 2010, Pages 46-60

Discovery of novel anti-proliferative compounds against A549 cells by virtual screening

Author keywords

A549; Apoptosis; Binding affinity; Cross docking; MTT assay; ZINC database

Indexed keywords


EID: 77953178246     PISSN: 13476297     EISSN: 13470442     Source Type: Journal    
DOI: 10.1273/cbij.10.46     Document Type: Article
Times cited : (4)

References (26)
  • 1
    • 0842324788 scopus 로고    scopus 로고
    • Recycling the cell cycle: Cyclins revisited
    • A.W. Murray, Recycling the cell cycle: cyclins revisited, Cell, 116, 221-234 (2004).
    • (2004) Cell , vol.116 , pp. 221-234
    • Murray, A.W.1
  • 3
    • 0037302850 scopus 로고    scopus 로고
    • The use of cyclin-dependent kinase inhibitors alone or in combination with established cytotoxic drugs in cancer chemotherapy
    • S. Grant and J.D. Roberts, The use of cyclin-dependent kinase inhibitors alone or in combination with established cytotoxic drugs in cancer chemotherapy, Drug Resist Updat, 6, 15-26 (2003).
    • (2003) Drug Resist Updat , vol.6 , pp. 15-26
    • Grant, S.1    Roberts, J.D.2
  • 4
    • 0035990897 scopus 로고    scopus 로고
    • Structure-based design of cyclin-dependent kinase inhibitors
    • T.oble, Structure-based design of cyclin-dependent kinase inhibitors, Pharmacol Ther, 93, 125-133 (2002).
    • (2002) Pharmacol Ther , vol.93 , pp. 125-133
    • Oble, T.1
  • 5
    • 38149106549 scopus 로고    scopus 로고
    • Pyridines, pyridazines and guanines as CDK2 inhibitors: A review
    • P.A. Babu, M.L. Narasu and K. Srinivas, Pyridines, pyridazines and guanines as CDK2 inhibitors: a review, Arkivoc, ii, 247-265 (2007).
    • (2007) Arkivoc , vol.2 , pp. 247-265
    • Babu, P.A.1    Narasu, M.L.2    Srinivas, K.3
  • 6
    • 13844312649 scopus 로고    scopus 로고
    • ZINC--a free database of commercially available compounds for virtual screening
    • J.J. Irwin and B.K. Shoichet, ZINC--a free database of commercially available compounds for virtual screening, J Chem Inf Model, 45, 177-182 (2005).
    • (2005) J Chem Inf Model , vol.45 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 7
    • 58149123613 scopus 로고    scopus 로고
    • Identification of Novel CDK2 Inhibitors by QSAR and Virtual Screening Procedures
    • P.A. Babu, D.J. Smiles, M.L. Narasu and K. Srinivas, Identification of Novel CDK2 Inhibitors by QSAR and Virtual Screening Procedures, QSAR & Comb Sci, 27, 1362-1373 (2008).
    • (2008) QSAR & Comb Sci , vol.27 , pp. 1362-1373
    • Babu, P.A.1    Smiles, D.J.2    Narasu, M.L.3    Srinivas, K.4
  • 9
    • 0031552362 scopus 로고    scopus 로고
    • Development and validation of a genetic algorithm for flexible docking
    • G. Jones, P. Willett, R.C. Glen, A.R. Leach and R. Taylor, Development and validation of a genetic algorithm for flexible docking, J Mol Biol, 267, 727-748 (1997).
    • (1997) J Mol Biol , vol.267 , pp. 727-748
    • Jones, G.1    Willett, P.2    Glen, R.C.3    Leach, A.R.4    Taylor, R.5
  • 10
    • 8844263008 scopus 로고    scopus 로고
    • Docking and scoring in virtual screening for drug discovery: Methods and applications
    • D.B. Kitchen, H. Decornez, J.R. Furr and J. Bajorath, Docking and scoring in virtual screening for drug discovery: methods and applications, Nat Rev Drug Discov, 3, 935-949 (2004).
    • (2004) Nat Rev Drug Discov , vol.3 , pp. 935-949
    • Kitchen, D.B.1    Decornez, H.2    Furr, J.R.3    Bajorath, J.4
  • 11
    • 0037763817 scopus 로고    scopus 로고
    • Comparative Evaluation of 11 Scoring Functions for Molecular Docking
    • R. Wang, Y. Lu and S. Wang, Comparative Evaluation of 11 Scoring Functions for Molecular Docking, J Med Chem, 46, 2287-2303 (2003).
    • (2003) J Med Chem , vol.46 , pp. 2287-2303
    • Wang, R.1    Lu, Y.2    Wang, S.3
  • 12
    • 0033576680 scopus 로고    scopus 로고
    • Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
    • P.S. Charifson, J.J. Corkery, M.A. Murcko and W.P. Walters, Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins, J Med Chem, 42, 5100-5109 (1999).
    • (1999) J Med Chem , vol.42 , pp. 5100-5109
    • Charifson, P.S.1    Corkery, J.J.2    Murcko, M.A.3    Walters, W.P.4
  • 14
    • 33744826819 scopus 로고    scopus 로고
    • MolDock: A new technique for high-accuracy molecular docking
    • R. Thomsen and M.H. Christensen, MolDock: a new technique for high-accuracy molecular docking, J Med Chem, 49, 3315-3321 (2006).
    • (2006) J Med Chem , vol.49 , pp. 3315-3321
    • Thomsen, R.1    Christensen, M.H.2
  • 15
    • 0036022960 scopus 로고    scopus 로고
    • Further development and validation of empirical scoring functions for structure-based binding affinity prediction
    • R. Wang, L. Lai and S. Wang, Further development and validation of empirical scoring functions for structure-based binding affinity prediction, J Comput Aided Mol Des, 16, 11-26 (2002).
    • (2002) J Comput Aided Mol Des , vol.16 , pp. 11-26
    • Wang, R.1    Lai, L.2    Wang, S.3
  • 16
    • 0021061819 scopus 로고
    • Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays
    • T. Mosmann, Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays, J Immunol Methods, 65, 55-63 (1983).
    • (1983) J Immunol Methods , vol.65 , pp. 55-63
    • Mosmann, T.1
  • 17
    • 36148970836 scopus 로고    scopus 로고
    • Enrichment of potent GSK-3b Inhibitors from docking studies in the enzyme active site
    • P.K. Gadakar, S. Phukan, M.D. Prasanna and V.N. Balaji, Enrichment of potent GSK-3b Inhibitors from docking studies in the enzyme active site, Current Sci, 93, 1100-1107 (2007).
    • (2007) Current Sci , vol.93 , pp. 1100-1107
    • Gadakar, P.K.1    Phukan, S.2    Prasanna, M.D.3    Balaji, V.N.4
  • 18
    • 34547699174 scopus 로고    scopus 로고
    • Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3beta
    • P.K. Gadakar, S. Phukan, M.D. Prasanna and V.N. Balaji, Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3beta, J Chem Inf Model 47, 1446-1459 (2007).
    • (2007) J Chem Inf Model , vol.47 , pp. 1446-1459
    • Gadakar, P.K.1    Phukan, S.2    Prasanna, M.D.3    Balaji, V.N.4
  • 19
    • 3042533397 scopus 로고    scopus 로고
    • Structural alignment of proteins by a novel TOPOFIT method, as a superimposition of common volumes at a topomax point
    • V.A. Ilyin, A. Abyzov and C.M. Leslin, Structural alignment of proteins by a novel TOPOFIT method, as a superimposition of common volumes at a topomax point, Protein Sci, 13, 1865-1874 (2004).
    • (2004) Protein Sci , vol.13 , pp. 1865-1874
    • Ilyin, V.A.1    Abyzov, A.2    Leslin, C.M.3
  • 20
    • 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, 235-249 (2000).
    • (2000) J Pharmacol Toxicol Methods , vol.44 , pp. 235-249
    • Lipinski, C.A.1
  • 21
    • 0013482340 scopus 로고
    • Docking Conformationally Flexible Small Molecules into a Protein Binding Site through Evolutionary Programming
    • In: J.R. McDonnell, R.G. Reynolds, D.B. Fogel (Eds.), MIT Press, Cambridge, Massachusetts
    • D.K. Gehlhaar, G. Verkhivker, P.A. Rejto, D.B. Fogel, L.J. Fogel and S.T. Freer, Docking Conformationally Flexible Small Molecules into a Protein Binding Site through Evolutionary Programming, In: J.R. McDonnell, R.G. Reynolds, D.B. Fogel (Eds.) Proceedings of the Fourth Annual Conference on Evolutionary Programming, MIT Press, Cambridge, Massachusetts, 615-627 (1995).
    • (1995) Proceedings of The Fourth Annual Conference On Evolutionary Programming , pp. 615-627
    • Gehlhaar, D.K.1    Verkhivker, G.2    Rejto, P.A.3    Fogel, D.B.4    Fogel, L.J.5    Freer, S.T.6
  • 22
    • 1842532062 scopus 로고    scopus 로고
    • GEMDOCK: A Generic Evolutionary Method for Molecular Docking
    • J.M. Yang and C.C. Chen, GEMDOCK: A Generic Evolutionary Method for Molecular Docking, Proteins, 55, 288-304 (2004).
    • (2004) Proteins , vol.55 , pp. 288-304
    • Yang, J.M.1    Chen, C.C.2
  • 24
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • C.A. Lipinski, F. Lombardo, B.W. Dominy and P.J. Feeney, Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings, Adv Drug Deliv Rev, 23, 3-25 (1997).
    • (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
  • 25
    • 84903372416 scopus 로고    scopus 로고
    • Synthesis and antitumoral activity of novel 3-(2-substituted-1,3,4-oxadiazol-5-yl) and 3-(5-substituted-1,2,4-triazol-3-yl) β-carboline derivatives
    • A.S. Formagio, L.T. Tonin, M.A. Foglio, C. Madjarof, J.E. de Carvalho, W.F. da Costa, F.P. Cardoso and M. H. Sarragiotto, Synthesis and antitumoral activity of novel 3-(2-substituted-1,3,4-oxadiazol-5-yl) and 3-(5-substituted-1,2,4-triazol-3-yl) β-carboline derivatives, Bioorg Med Chem, 16, 9660-9667 (2008).
    • (2008) Bioorg Med Chem , vol.16 , pp. 9660-9667
    • Formagio, A.S.1    Tonin, L.T.2    Foglio, M.A.3    Madjarof, C.4    de Carvalho, J.E.5    da Costa, W.F.6    Cardoso, F.P.7    Sarragiotto, M.H.8
  • 26
    • 34248173947 scopus 로고    scopus 로고
    • New 5-substituted thiazolo[3,2-b][1,2,4]triazol-6-ones: Synthesis and anticancer evaluation
    • R. Lesyk, O. Vladzimirska, S. Holota, L. Zaprutko and A. Gzella, New 5-substituted thiazolo[3,2-b][1,2,4]triazol-6-ones: synthesis and anticancer evaluation, Eur J Med Chem, 42,641-648 (2007).
    • (2007) Eur J Med Chem , vol.42 , pp. 641-648
    • Lesyk, R.1    Vladzimirska, O.2    Holota, S.3    Zaprutko, L.4    Gzella, A.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.