메뉴 건너뛰기




Volumn 32, Issue 7, 2014, Pages 1047-1063

Structure- and ligand-based drug design of novel p38-alpha MAPK inhibitors in the fight against the Alzheimers disease

Author keywords

Alzheimer's disease; drug design; p38 alpha MAPK

Indexed keywords

MITOGEN ACTIVATED PROTEIN KINASE 14; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; LIGAND; MITOGEN ACTIVATED PROTEIN KINASE P38; PROTEIN KINASE INHIBITOR;

EID: 84899969869     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2013.803441     Document Type: Article
Times cited : (24)

References (69)
  • 1
    • 0001752768 scopus 로고    scopus 로고
    • The Cambridge Structural Database: A quarter of a million crystal structures and rising
    • Allen F. H. (2002). The Cambridge Structural Database: A quarter of a million crystal structures and rising. Acta Crystallographica. Section B Structural Science 58 380-388.
    • (2002) Acta Crystallographica. Section B Structural Science , vol.58 , pp. 380-388
    • Allen, F.H.1
  • 2
    • 33747200808 scopus 로고    scopus 로고
    • Combining docking and molecular dynamic simulations in drug design
    • Alonso H. Bliznyuk A. A. & Gready J. E. (2006). Combining docking and molecular dynamic simulations in drug design. Medicinal Research Reviews 26 531-568.
    • (2006) Medicinal Research Reviews , vol.26 , pp. 531-568
    • Alonso, H.1    Bliznyuk, A.A.2    Gready, J.E.3
  • 4
    • 0030941637 scopus 로고    scopus 로고
    • Computational predictive programs (expert systems) in toxicology
    • Benfenati E. Gini G. 1997 Computational predictive programs (expert systems) in toxicology Toxicology 119 213-225.
    • (1997) Toxicology , vol.119 , pp. 213-225
    • Benfenati, E.1    Gini, G.2
  • 5
    • 0032058918 scopus 로고    scopus 로고
    • Evolution in the conceptualization of dementia and Alzheimer's disease: Disease
    • Berchtold N. C. & Cotman C. W. (1998). Evolution in the conceptualization of dementia and Alzheimer's disease: Disease. Neurobiology of Aging 19 173-189.
    • (1998) Neurobiology of Aging , vol.19 , pp. 173-189
    • Berchtold, N.C.1    Cotman, C.W.2
  • 10
    • 0842309491 scopus 로고    scopus 로고
    • [beta]-Secretase inhibition for the treatment of Alzheimer's disease-promise and challenge
    • Citron M. (2004). [beta]-Secretase inhibition for the treatment of Alzheimer's disease-promise and challenge. Trends in Pharmacological Sciences 25 92-97.
    • (2004) Trends in Pharmacological Sciences , vol.25 , pp. 92-97
    • Citron, M.1
  • 11
    • 38349107593 scopus 로고    scopus 로고
    • The Alzheimer's disease betasecretase Enzyme BACE1
    • Cole S.L. & Vassar R. (2007). The Alzheimer's disease betasecretase Enzyme BACE1. Molecular Neurodegeneration 2 22-32.
    • (2007) Molecular Neurodegeneration , vol.2 , pp. 22-32
    • Cole, S.L.1    Vassar, R.2
  • 12
    • 0036922447 scopus 로고    scopus 로고
    • P38 mitogen activated protein kinase as a therapeutic target for Alzheimer's disease
    • Dalrymple S. A. (2002). P38 mitogen activated protein kinase as a therapeutic target for Alzheimer's disease. Journal of Molecular Neuroscience 19 295-304.
    • (2002) Journal of Molecular Neuroscience , vol.19 , pp. 295-304
    • Dalrymple, S.A.1
  • 13
    • 84899989788 scopus 로고    scopus 로고
    • DEREK10.0. Leeds: LHASA Limited
    • DEREK10.0. 2004. Leeds: LHASA Limited.
    • (2004)
  • 14
    • 84899949875 scopus 로고    scopus 로고
    • Discovery Studio. ersao 3.5. San Diego CA: Accelrys Inc
    • Discovery Studio. (2012) Versao 3.5. San Diego CA: Accelrys Inc.
    • (2012)
  • 15
    • 0037015151 scopus 로고    scopus 로고
    • X-ray structures of Torpedo californica acetylcholinesterase complexed with (+)-huperzine A and (-)-huperzine B: Structural e vidence for an active site rearrangement
    • Dvir H. Jiang H. L. Wong D. M. Harel M. Chetrit M. He X. C. Sussman J. L. (2002). X-ray structures of Torpedo californica acetylcholinesterase complexed with (+)-huperzine A and (-)-huperzine B: structural e vidence for an active site rearrangement. Biochemistry 41 10810-10818.
    • (2002) Biochemistry , Issue.41 , pp. 10810-10818
    • Dvir, H.1    Jiang, H.L.2    Wong, D.M.3    Harel, M.4    Chetrit, M.5    He, X.C.6    Sussman, J.L.7
  • 16
    • 0031226772 scopus 로고    scopus 로고
    • Empirical scoring functions: I. The develop ment of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
    • Eldridge M. D. Murray C. W. Auton T. R. Paolini G. V. & Mee R. P. (1997). Empirical scoring functions: I. The develop ment of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. Journal of Computer-Aided Molecular Design 11 425-445.
    • (1997) Journal of Computer-Aided Molecular Design , vol.11 , pp. 425-445
    • Eldridge, M.D.1    Murray, C.W.2    Auton, T.R.3    Paolini, G.V.4    Mee, R.P.5
  • 17
    • 84899982132 scopus 로고    scopus 로고
    • EON. Versao 2.0.1. Santa Fe NM: Openeyes Scientific Software
    • EON. (2007). Versao 2.0.1. Santa Fe NM: Openeyes Scientific Software.
    • (2007)
  • 18
    • 0032105342 scopus 로고    scopus 로고
    • Cholinergic foundations of Alzheimer's disease therapy
    • Giacobini E. (1998). Cholinergic foundations of Alzheimer's disease therapy. Journal of Physiology-Paris 92 283-290.
    • (1998) Journal of Physiology-Paris , vol.92 , pp. 283-290
    • Giacobini, E.1
  • 19
    • 84899992834 scopus 로고    scopus 로고
    • GLIDE. Versao 5.5. New York NY: Schrödinger LLC
    • GLIDE. (2009). Versao 5.5. New York NY: Schrödinger LLC.
    • (2009)
  • 20
    • 84899911272 scopus 로고    scopus 로고
    • GOLD. Versao 5.1. Cambridge: Cambridge Crystallographic Datacenter
    • GOLD. (2009). Versao 5.1. Cambridge: Cambridge Crystallographic Datacenter.
    • (2009)
  • 22
    • 0021871375 scopus 로고
    • A computat ional procedure for determining energetically favorable binding sites on biologically important macromolecules
    • Goodford P. J. (1985). A computat ional procedure for determining energetically favorable binding sites on biologically important macromolecules. Journal of Medicinal Chemistry 28 849-857.
    • (1985) Journal of Medicinal Chemistry , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 23
    • 0001109246 scopus 로고    scopus 로고
    • A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
    • Grant J. A. Gallardo M. A. & Pickup B. T. (1996). A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape. Journal of Computational Chemistry 17 1653-1666.
    • (1996) Journal of Computational Chemistry , vol.17 , pp. 1653-1666
    • Grant, J.A.1    Gallardo, M.A.2    Pickup, B.T.3
  • 25
    • 84899947540 scopus 로고    scopus 로고
    • GRID. Versao 22. London: Molecular Discovery Ltd
    • GRID. (2006). Versao 22. London: Molecular Discovery Ltd.
    • (2006)
  • 26
    • 0031473847 scopus 로고    scopus 로고
    • SWISS-MODEL and the Swiss-Pdb Viewer: An environment for comparative protein modeling
    • Guex N. & Peitsch M. C. (1997). SWISS-MODEL and the Swiss-Pdb Viewer: An environment for comparative protein modeling. Electrophoresis 18 2714-2723.
    • (1997) Electrophoresis , vol.18 , pp. 2714-2723
    • Guex, N.1    Peitsch, M.C.2
  • 28
    • 0036606483 scopus 로고    scopus 로고
    • Principles of docking: An overview of search algorithms and a guide to scoring functions
    • Halperin I. Ma B. Wolfson H. & Nussinov R. (2002). Principles of docking: An overview of search algorithms and a guide to scoring functions. Proteins 47 409-443.
    • (2002) Proteins , vol.47 , pp. 409-443
    • Halperin, I.1    Ma, B.2    Wolfson, H.3    Nussinov, R.4
  • 29
    • 3242887525 scopus 로고    scopus 로고
    • STRIDE: A web server for secondary structure assignment from known atomic coordinates of proteins
    • (Web Server issue) W500-2
    • Heinig M. & Frishman D. (2004). STRIDE: A web server for secondary structure assignment from known atomic coordinates of proteins. Nucleic Acids Research 32(Web Server issue) W500-2.
    • (2004) Nucleic Acids Research , vol.32
    • Heinig, M.1    Frishman, D.2
  • 31
    • 0003775629 scopus 로고    scopus 로고
    • Insight II. San Diego CA
    • Insight II. (2000). Molecula r simulations. San Diego CA.
    • (2000) Molecular Simulations
  • 33
    • 13844312649 scopus 로고    scopus 로고
    • ZINC-A free database of commercially available compounds for virtual screening
    • Irwin J. J. & Shoichet B. K. (2005). ZINC-A free database of commercially available compounds for virtual screening. Journal of Chemical Information and Modeling 45 177-182.
    • (2005) Journal of Chemical Information and Modeling , vol.45 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 34
    • 0141449089 scopus 로고    scopus 로고
    • The p38 MAP kinase signaling pathway in Alzheimer's disease
    • Johnson G. V. & Bailey C. D. (2003). The p38 MAP kinase signaling pathway in Alzheimer's disease. Experimental Neurology 183 263-271.
    • (2003) Experimental Neurology , vol.183 , pp. 263-271
    • Johnson, G.V.1    Bailey, C.D.2
  • 35
    • 33746921247 scopus 로고    scopus 로고
    • Comparative performance assessment of the conformational model generators omega and catalyst: A large-scale survey on the retrieval of protein-bound ligand conformations
    • Kirchmair J. Wolber G. Laggner C. & Langer T. (2006). Comparative performance assessment of the conformational model generators omega and catalyst: A large-scale survey on the retrieval of protein-bound ligand conformations. Journal of Chemical Information and Modeling 46 1848-1861.
    • (2006) Journal of Chemical Information and Modeling , vol.46 , pp. 1848-1861
    • Kirchmair, J.1    Wolber, G.2    Laggner, C.3    Langer, T.4
  • 36
    • 84864447594 scopus 로고    scopus 로고
    • ZINCPharmer: Pharmacophore search of the ZINC database
    • (Web Server issue
    • Koes D. R. & Camacho C. J. (2012). ZINCPharmer: Pharmacophore search of the ZINC database. Nucleic Acids Research 40(Web Server issue) W409-W414.
    • (2012) Nucleic Acids Research , vol.40
    • Koes, D.R.1    Camacho, C.J.2
  • 38
    • 34447290203 scopus 로고    scopus 로고
    • Mapping selectivity and specificity of active site of plasmepsins from Plasmodium falciparum using molecular interaction field approach
    • Kumar A. & G hosh I. (2007). Mapping selectivity and specificity of active site of plasmepsins from Plasmodium falciparum using molecular interaction field approach. Protein and Peptide Letters 14 569-574.
    • (2007) Protein and Peptide Letters , vol.14 , pp. 569-574
    • Kumar, A.1    Ghosh, I.2
  • 40
    • 18744394070 scopus 로고    scopus 로고
    • Q-SiteFinder: An energy-based method for the prediction of protein-ligand binding sites
    • Laurie A. T. & Jackson R. M. (2005). Q-SiteFinder: An energy-based method for the prediction of protein-ligand binding sites. Bioinformatics 21 1908-1916.
    • (2005) Bioinformatics , vol.21 , pp. 1908-1916
    • Laurie, A.T.1    Jackson, R.M.2
  • 41
    • 27944503331 scopus 로고    scopus 로고
    • MAP Kinase p38Inhibitors: Clinical results and an intimate look at their interactions with p38 protein
    • Lee M. R. & Dominguez C. (2005). MAP Kinase p38Inhibitors: Clinical results and an intimate look at their interactions with p38 protein. Current Medicinal Chemistry 12 2979-2994.
    • (2005) Current Medicinal Chemistry , vol.12 , pp. 2979-2994
    • Lee, M.R.1    Dominguez, C.2
  • 42
    • 84889822330 scopus 로고    scopus 로고
    • Bioinformatics: From genomes to drugs
    • Weinheim Wiley-VHC Verlag
    • Lengauer T. (2002). Bioinformatics: From genomes to drugs. Methods and principles in medicinal chemistry (Vol. 1). Weinheim: Wiley-VHC Verlag.
    • (2002) Methods and Principles in Medicinal Chemistry , vol.1
    • Lengauer, T.1
  • 43
    • 77954264038 scopus 로고    scopus 로고
    • PharmMapper server: A web server for potential drug target identification using pharmacophore mapping approach
    • Liu X. Ouyang S. Yu B. Liu Y. Huang K. Gong J. Jiang H. (2010). PharmMapper server: A web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Research 38 W609-14.
    • (2010) Nucleic Acids Research , vol.38
    • Liu, X.1    Ouyang, S.2    Yu, B.3    Liu, Y.4    Huang, K.5    Gong, J.6    Jiang, H.7
  • 44
    • 84875160736 scopus 로고    scopus 로고
    • Histamine synergistically promotes bFGF-induced angiogenesis by enhancing VEGF production via H1 receptor
    • Lu Q. Wang C. Pan R. G ao X. Wei Z. Xia Y. & Dai Y. (2013). Histamine synergistically promotes bFGF-induced angiogenesis by enhancing VEGF production via H1 receptor. Journal of Cellular Biochemistry 114 1009-1019.
    • (2013) Journal of Cellular Biochemistry , vol.114 , pp. 1009-1019
    • Lu, Q.1    Wang, C.2    Pan, R.3    Ao X, G.4    Wei, Z.5    Xia, Y.6    Dai, Y.7
  • 45
    • 84866038981 scopus 로고    scopus 로고
    • Selective kinase inhibitors as tools for neuroscience research
    • M artin K. J. & Arthur J. S. (2012). Selective kinase inhibitors as tools for neuroscience research. Neuropharmacology 63 1227-1237.
    • (2012) Neuropharmacology , vol.63 , pp. 1227-1237
    • Martin, K.J.1    Arthur, J.S.2
  • 46
    • 84865637226 scopus 로고    scopus 로고
    • First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators Can mouse data provide new insights into humans
    • Matos K. S. da Cunha E. F. da Silva Gonçalves A Wilter A. Kua K. Franç a T. C. & Ramalho T. C. (2012). First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: Can mouse data provide new insights into humans Journal of Biomolecular Structure & Dynamics 30 546-558.
    • (2012) Journal of Biomolecular Structure & Dynamics , vol.30 , pp. 546-558
    • Matos, K.S.1    Da Cunha, E.F.2    Da Silva Gonçalves, A.3    Wilter, A.4    Kua, K.5    França, T.C.6    Ramalho, T.C.7
  • 49
    • 33745078578 scopus 로고    scopus 로고
    • The use of three-dimensional shape and electrostatic similarity searching in the identification of a melaninconcentrating hormone receptor 1 antagonist
    • Muchmore S. W. Souers A. J. Akritopoulou-Zanze I. 2006 The use of three-dimensional shape and electrostatic similarity searching in the identification of a melaninconcentrating hormone receptor 1 antagonist Chemical Biology & Drug De sign 67 174-176.
    • (2006) Chemical Biology & Drug de Sign , vol.67 , pp. 174-176
    • Muchmore, S.W.1    Souers, A.J.2    Akritopoulou-Zanze, I.3
  • 50
    • 70350075694 scopus 로고    scopus 로고
    • Neuroscience: Alzheimer's disease
    • Mucke L. (2009). Neuroscience: Alzheimer's disease. Nature 461 895-902.
    • (2009) Nature , vol.461 , pp. 895-902
    • Mucke, L.1
  • 52
    • 33750531864 scopus 로고    scopus 로고
    • Innovative lead discovery strategies for tropical diseases
    • Nwaka S. & Hudson A. (2006). Innovative lead discovery strategies for tropical diseases. Nature Reviews Drug Discovery 5 941-955.
    • (2006) Nature Reviews Drug Discovery , vol.5 , pp. 941-955
    • Nwaka, S.1    Hudson, A.2
  • 53
    • 84899957257 scopus 로고    scopus 로고
    • Omega.Versao 2.0. Santa Fe NM: Openeyes Scientific Software
    • Omega. (2006). Versao 2.0. Santa Fe NM: Openeyes Scientific Software.
    • (2006)
  • 54
    • 67651083303 scopus 로고    scopus 로고
    • P38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses
    • Perry J. J. Harris R. M. Moiani D. Olson A. J. & Tainer J. A. (2009). p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. Journal of Molecular Biology 391 1-11.
    • (2009) Journal of Molecular Biology , vol.391 , pp. 1-11
    • Perry, J.J.1    Harris, R.M.2    Moiani, D.3    Olson, A.J.4    Tainer, J.A.5
  • 55
    • 84876845936 scopus 로고    scopus 로고
    • Rational design of novel potential p38 MAPK inhibitors with drug-like properties using pharmacophore and similarity-based virtual screening procedures
    • Pinsetta F. R. Taft C. A. & Silva C. H. T. P. (2013). Rational design of novel potential p38 MAPK inhibitors with drug-like properties using pharmacophore and similarity-based virtual screening procedures. Current Bioactive Compounds 13 3-13.
    • (2013) Current Bioactive Compounds , Issue.13 , pp. 3-13
    • Pinsetta, F.R.1    Taft, C.A.2    Silva, C.H.T.P.3
  • 56
    • 20144369541 scopus 로고    scopus 로고
    • Virtual screening for betasecretase (BACE1) inhibitors reveals the importance of protonation states at Asp32 and Asp228
    • Polgar T. & Keseru G. M. (2005). Virtual screening for betasecretase (BACE1) inhibitors reveals the importance of protonation states at Asp32 and Asp228. Journal of Medicinal Chemistry 48 3749-3755.
    • (2005) Journal of Medicinal Chemistry , vol.48 , pp. 3749-3755
    • Polgar, T.1    Keseru, G.M.2
  • 57
    • 84899990232 scopus 로고    scopus 로고
    • QikProp.V ersion 3.4. New York NY: Schrödinger LLC
    • QikProp. (2011). V ersion 3.4. New York NY: Schrödinger LLC.
    • (2011)
  • 58
    • 3042609763 scopus 로고    scopus 로고
    • Current pharmacologic options for patients with Alzheimer's disease
    • Reichman W. E. (2003). Current pharmacologic options for patients with Alzheimer's disease. Annals of General Hospital Psychiatry 2 1.
    • (2003) Annals of General Hospital Psychiatry , vol.2 , pp. 1
    • Reichman, W.E.1
  • 61
  • 63
    • 0028871109 scopus 로고
    • Phosphorylation of tau protein by casein kinase-1 converts it to an abnormal Alzheimer-like state
    • Singh T. J. Grundke-Iqbal I. & Iqbal K. (1995). Phosphorylation of tau protein by casein kinase-1 converts it to an abnormal Alzheimer-like state. Journal of Neurochemistry 64 1420-1423.
    • (1995) Journal of Neurochemistry , vol.64 , pp. 1420-1423
    • Singh, T.J.1    Grundke-Iqbal, I.2    Iqbal, K.3
  • 65
    • 84882436732 scopus 로고    scopus 로고
    • Comments on the paper Levinthal's question revisited and answered
    • doi:10.1080/07391102.2012.748540 The PyMOL Molecular Graphics System Ve rsion 1.2r3pre Schrödinger LL
    • T aft C. A. & Silva C. H. T. P. (2013). Comments on the paper Levinthal's question revisited and answered. Journal of Biomolecular Structure & Dynamics doi:10.1080/07391102.2012.748540. The PyMOL Molecular Graphics System Ve rsion 1.2r3pre Schrödinger LL.
    • (2013) Journal of Biomolecular Structure & Dynamics
    • Aft C A, T.1    Silva, C.H.T.P.2
  • 67
    • 84873742707 scopus 로고    scopus 로고
    • Dementia in (2012) further insights into Alzheimer disease pathogenesis
    • Weiner M. W. (2012). Dementia in (2012) further insights into Alzheimer disease pathogenesis. Nature Reviews 9 65-66.
    • (2012) Nature Reviews , Issue.9 , pp. 65-66
    • Weiner, M.W.1
  • 69
    • 55549104054 scopus 로고    scopus 로고
    • Enzymatic activity and substrate specificity of mitogen-activated protein kinase p38alpha in different phosphoryl ation states
    • Zhang Y. Y. Mei Z. Q. Wu J. W. & Wang Z. X. (2008). Enzymatic activity and substrate specificity of mitogen-activated protein kinase p38alpha in different phosphoryl ation states. Journal of Biological Chemistry 283 26591-26601.
    • (2008) Journal of Biological Chemistry , vol.283 , pp. 26591-26601
    • Zhang, Y.Y.1    Mei, Z.Q.2    Wu, J.W.3    Wang, Z.X.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.