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Volumn 37, Issue 6, 2011, Pages 488-494

Molecular docking and pharmacophore model studies of Rho kinase inhibitors

Author keywords

computer aided drug design; molecular docking; pharmacophore model; Rho kinase; Rho kinase inhibitor

Indexed keywords

COMPUTER-AIDED DRUG DESIGN; MOLECULAR DOCKING; PHARMACOPHORE MODELS; RHO KINASE; RHO-KINASE INHIBITORS;

EID: 79957585276     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2011.554548     Document Type: Article
Times cited : (6)

References (74)
  • 2
    • 34247200969 scopus 로고    scopus 로고
    • RhoA/Rho kinase up-regulate Bax to activate a mitochondrial death pathway and induce cardiomyocyte apoptosis
    • DOI 10.1074/jbc.M604298200
    • R.D.P. Del, S. Miyamoto, and J.H. Brown, RhoA/Rho kinase upregulate Bax to activate a mitochondrial death pathway and induce cardiomyocyte apoptosis, J. Biol. Chem. 282 (2007), pp. 8069-8078. (Pubitemid 47093605)
    • (2007) Journal of Biological Chemistry , vol.282 , Issue.11 , pp. 8069-8078
    • Del Re, D.P.1    Miyamoto, S.2    Brown, J.H.3
  • 3
    • 0035150402 scopus 로고    scopus 로고
    • Rho-Rho-kinase pathway in smooth muscle contraction and cytoskeletal reorganization of non-muscle cells
    • DOI 10.1016/S0165-6147(00)01596-0, PII S0165614700015960
    • Y. Fukata, M. Amano, and K. Kaibuchi, Rho-Rho-kinase pathway in smooth muscle contraction and cytoskeletal reorganization of nonmuscle cells, Trends Pharmacol. Sci. 22 (2001), pp. 32-39. (Pubitemid 32126284)
    • (2001) Trends in Pharmacological Sciences , vol.22 , Issue.1 , pp. 32-39
    • Fukata, Y.1    Kaibuchi, K.2    Amano, M.3    Kaibuchi, K.4
  • 4
    • 77950667079 scopus 로고    scopus 로고
    • ROCK inhibitors as emerging therapeutic candidates for sarcomas
    • S. Micuda, D. Rosel, A. Ryska, and J. Brabek, ROCK inhibitors as emerging therapeutic candidates for sarcomas, Curr. Cancer Drug Tar. 10 (2010), pp. 127-134.
    • (2010) Curr. Cancer Drug Tar. , vol.10 , pp. 127-134
    • Micuda, S.1    Rosel, D.2    Ryska, A.3    Brabek, J.4
  • 6
    • 42149117843 scopus 로고    scopus 로고
    • Advances in the study of Rho kinase and its inhibitors
    • W.G. Duan, S.T. Yuan, H. Liao, M. Yan, and L.Y. Zhang, Advances in the study of Rho kinase and its inhibitors, Acta Pharm. Sin. 42 (2007), pp. 1013-1022.
    • (2007) Acta Pharm. Sin. , vol.42 , pp. 1013-1022
    • Duan, W.G.1    Yuan, S.T.2    Liao, H.3    Yan, M.4    Zhang, L.Y.5
  • 7
    • 0035990918 scopus 로고    scopus 로고
    • The novel and specific Rho-kinase inhibitor (S)-(+)-2-methyl-1-[(4- methyl-5-isoquinoline)sulfonyl]-homopiperazine as a probing molecule for Rho-kinase-involved pathway
    • DOI 10.1016/S0163-7258(02)00191-2, PII S0163725802001912
    • Y. Sasakia, M. Suzukib, and H. Hidaka, The novel and specific Rhokinase inhibitor (S)-(+)-2-methyl-1- [(4-methyl-5-isoquinoline)sulfonyl]- homopiperazine as a probing molecule for Rho-kinaseinvolved pathway, Pharmacol. Ther. 93 (2002), pp. 225-232. (Pubitemid 34615563)
    • (2002) Pharmacology and Therapeutics , vol.93 , Issue.2-3 , pp. 225-232
    • Sasaki, Y.1    Suzuki, M.2    Hidaka, H.3
  • 12
    • 3242792729 scopus 로고    scopus 로고
    • Review: Structural bioinformatics and its impact to biomedical science
    • K.C. Chou, Review: Structural bioinformatics and its impact to biomedical science, Curr. Med. Chem. 11 (2004), pp. 2105-2134.
    • (2004) Curr. Med. Chem. , vol.11 , pp. 2105-2134
    • Chou, K.C.1
  • 13
    • 1642377868 scopus 로고    scopus 로고
    • Modelling extracellular domains of GABA-A receptors: Subtypes 1 2, 3, and 5
    • K.C. Chou, Modelling extracellular domains of GABA-A receptors: Subtypes 1, 2, 3, and 5, Biochem. Biophys. Res. Commun. 316 (2004), pp. 636-642.
    • (2004) Biochem. Biophys. Res. Commun. , vol.316 , pp. 636-642
    • Chou, K.C.1
  • 14
    • 11144275172 scopus 로고    scopus 로고
    • Molecular therapeutic target for type-2 diabetes
    • K.C. Chou, Molecular therapeutic target for type-2 diabetes, J. Proteome Res. 3 (2004), pp. 1284-1288.
    • (2004) J. Proteome Res. , vol.3 , pp. 1284-1288
    • Chou, K.C.1
  • 15
    • 77955199287 scopus 로고    scopus 로고
    • Analysis and prediction of the metabolic stability of proteins based on their sequential features subcellular locations and interaction networks
    • T. Huang, X.H. Shi, P. Wang, Z. He, K.Y. Feng, L. Hu, X. Kong, Y.X. Li, Y.D. Cai, and K.C. Chou, Analysis and prediction of the metabolic stability of proteins based on their sequential features, subcellular locations and interaction networks, PLoS ONE 5 (2010), p. e10972.
    • (2010) PLoS ONE , vol.5
    • Huang, T.1    Shi, X.H.2    Wang, P.3    He, Z.4    Feng, K.Y.5    Hu, L.6    Kong, X.7    Li, Y.X.8    Cai, Y.D.9    Chou, K.C.10
  • 16
    • 0041848237 scopus 로고    scopus 로고
    • Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
    • K.C. Chou, D.Q. Wei, and W.Z. Zhong, Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS, Biochem. Biophys. Res. Commun. 308 (2003), pp. 148-151.
    • (2003) Biochem. Biophys. Res. Commun. , vol.308 , pp. 148-151
    • Chou, K.C.1    Wei, D.Q.2    Zhong, W.Z.3
  • 17
    • 77950448057 scopus 로고    scopus 로고
    • Predicting drug-target interaction networks based on functional groups and biological features
    • Z.S. He, J. Zhang, X.H. Shi, L.L. Hu, X.G. Kong, Y.D. Cai, and K.C. Chou, Predicting drug-target interaction networks based on functional groups and biological features, PLoS ONE 5 (2010), p. e9603.
    • (2010) PLoS ONE , vol.5
    • He, Z.S.1    Zhang, J.2    Shi, X.H.3    Hu, L.L.4    Kong, X.G.5    Cai, Y.D.6    Chou, K.C.7
  • 18
    • 33750554701 scopus 로고    scopus 로고
    • Progress in computational approach to drug development againt SARS
    • DOI 10.2174/092986706778773077
    • K.C. Chou, D.Q. Wei, Q.S. Du, S. Sirois, and W.Z. Zhong, Review: Progress in computational approach to drug development against SARS, Curr. Med. Chem. 13 (2006), pp. 3263-3270. (Pubitemid 44669774)
    • (2006) Current Medicinal Chemistry , vol.13 , Issue.27 , pp. 3263-3270
    • Chou, K.-C.1    Wei, D.-Q.2    Du, Q.-S.3    Sirois, S.4    Zhong, W.-Z.5
  • 19
    • 39449105071 scopus 로고    scopus 로고
    • Cell-PLoc: A package of web servers for predicting subcellular localization of proteins in various organisms
    • K.C. Chou and H.B. Shen, Cell-PLoc: A package of web servers for predicting subcellular localization of proteins in various organisms, Nat. Protocols 3 (2008), pp. 153-162.
    • (2008) Nat. Protocols , vol.3 , pp. 153-162
    • Chou, K.C.1    Shen, H.B.2
  • 20
    • 34548606295 scopus 로고    scopus 로고
    • Review: Recent progresses in protein subcellular location prediction
    • K.C. Chou and H.B. Shen, Review: Recent progresses in protein subcellular location prediction, Anal. Biochem. 370 (2007), pp. 1-16.
    • (2007) Anal. Biochem. , vol.370 , pp. 1-16
    • Chou, K.C.1    Shen, H.B.2
  • 21
    • 77953298113 scopus 로고    scopus 로고
    • A new method for predicting the subcellular localization of eukaryotic proteins with both single and multiple sites: Euk-mPLoc 2.0
    • K.C. Chou and H.B. Shen, A new method for predicting the subcellular localization of eukaryotic proteins with both single and multiple sites: Euk-mPLoc 2.0, PLoS ONE 5 (2010), p. e9931.
    • (2010) PLoS ONE , vol.5
    • Chou, K.C.1    Shen, H.B.2
  • 22
    • 78650746655 scopus 로고    scopus 로고
    • Cell-PLoc 2.0: An improved package of web-servers for predicting subcellular localization of proteins in various organisms
    • K.C. Chou and H.B. Shen, Cell-PLoc 2.0: An improved package of web-servers for predicting subcellular localization of proteins in various organisms, Nat. Sci. 2 (2010), pp. 1090-1103.
    • (2010) Nat. Sci. , vol.2 , pp. 1090-1103
    • Chou, K.C.1    Shen, H.B.2
  • 23
    • 64749096548 scopus 로고    scopus 로고
    • GPCR-CA: A cellular automaton image approach for predicting G-protein-coupled receptor functional classes
    • X. Xiao, P. Wang, and K.C. Chou, GPCR-CA: A cellular automaton image approach for predicting G-protein-coupled receptor functional classes, J. Comput. Chem. 30 (2009), pp. 1414-1423.
    • (2009) J. Comput. Chem. , vol.30 , pp. 1414-1423
    • Xiao, X.1    Wang, P.2    Chou, K.C.3
  • 24
    • 53149132374 scopus 로고    scopus 로고
    • ProtIdent: A web server for identifying proteases and their types by fusing functional domain and sequential evolution information
    • K.C. Chou and H.B. Shen, ProtIdent: A web server for identifying proteases and their types by fusing functional domain and sequential evolution information, Biochem. Biophys. Res. Commun. 376 (2008), pp. 321-325.
    • (2008) Biochem. Biophys. Res. Commun. , vol.376 , pp. 321-325
    • Chou, K.C.1    Shen, H.B.2
  • 25
    • 0027219970 scopus 로고
    • A vectorized sequence-coupling model for predicting HIV protease cleavage sites in proteins
    • K.C. Chou, A vectorized sequence-coupling model for predicting HIV protease cleavage sites in proteins, J. Biol. Chem. 268 (1993), pp. 16938-16948.
    • (1993) J. Biol. Chem. , vol.268 , pp. 16938-16948
    • Chou, K.C.1
  • 26
    • 0030049315 scopus 로고    scopus 로고
    • Review: Prediction of HIV protease cleavage sites in proteins
    • K.C. Chou, Review: Prediction of HIV protease cleavage sites in proteins, Anal. Biochem. 233 (1996), pp. 1-14.
    • (1996) Anal. Biochem. , vol.233 , pp. 1-14
    • Chou, K.C.1
  • 27
    • 77954074097 scopus 로고    scopus 로고
    • Predicting the network of substrate-enzyme-product triads by combining compound similarity and functional domain composition
    • L. Chen, K.Y. Feng, Y.D. Cai, K.C. Chou, and H.P. Li, Predicting the network of substrate-enzyme-product triads by combining compound similarity and functional domain composition, BMC Bioinform. 11 (2010), p. 293.
    • (2010) BMC Bioinform. , vol.11 , pp. 293
    • Chen, L.1    Feng, K.Y.2    Cai, Y.D.3    Chou, K.C.4    Li, H.P.5
  • 28
    • 34247544233 scopus 로고    scopus 로고
    • Signal-CF: A subsite-coupled and window-fusing approach for predicting signal peptides
    • K.C. Chou and H.B. Shen, Signal-CF: A subsite-coupled and window-fusing approach for predicting signal peptides, Biochem. Biophys. Res. Commun. 357 (2007), pp. 633-640.
    • (2007) Biochem. Biophys. Res. Commun. , vol.357 , pp. 633-640
    • Chou, K.C.1    Shen, H.B.2
  • 29
    • 33644837834 scopus 로고    scopus 로고
    • Molecular mechanism for the regulation of rho-kinase by dimerization and its inhibition by fasudil
    • DOI 10.1016/j.str.2005.11.024, PII S0969212606000943
    • H. Yamaguchi, M. Kasa, M. Amano, K. Kaibuchi, and T. Hakoshima, Molecular mechanism for the regulation of Rho-kinase by dimerization and its inhibition by Fasudil, Structure 14 (2006), pp. 589-600. (Pubitemid 43363491)
    • (2006) Structure , vol.14 , Issue.3 , pp. 589-600
    • Yamaguchi, H.1    Kasa, M.2    Amano, M.3    Kaibuchi, K.4    Hakoshima, T.5
  • 30
    • 33750735037 scopus 로고    scopus 로고
    • Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632
    • DOI 10.1093/jb/mvj172
    • H. Yamaguchi, Y. Miwa, M. Kasa, K. Kitano, M. Amano, K. Kaibuchi, and T. Hakoshima, Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632, J. Biochem. 140 (2006), pp. 305-311. (Pubitemid 44703147)
    • (2006) Journal of Biochemistry , vol.140 , Issue.3 , pp. 305-311
    • Yamaguchi, H.1    Miwa, Y.2    Kasa, M.3    Kitano, K.4    Amano, M.5    Kaibuchi, K.6    Hakoshima, T.7
  • 31
    • 1342304087 scopus 로고    scopus 로고
    • Structural insights into the interaction of ROCKI with the switch regions of RhoA
    • DOI 10.1074/jbc.M311911200
    • R. Dvorsky, L. Blumenstein, I.R. Vetter, and M.R. Ahmadian, Structural insights into the interaction of ROCKI with the switch regions of RhoA, J. Biol. Chem. 279 (2004), pp. 7098-7104. (Pubitemid 38248856)
    • (2004) Journal of Biological Chemistry , vol.279 , Issue.8 , pp. 7098-7104
    • Dvorsky, R.1    Blumenstein, L.2    Vetter, I.R.3    Ahmadian, M.R.4
  • 34
    • 73149099925 scopus 로고    scopus 로고
    • Computational 3D structures of drug-targeting proteins in the 2009 -H1N1 influenza A virus
    • Q.S. Du, S.Q. Wang, R.B. Huang, and K.C. Chou, Computational 3D structures of drug-targeting proteins in the 2009-H1N1 influenza A virus, Chem. Phys. Lett. 485 (2010), pp. 191-195.
    • (2010) Chem. Phys. Lett. , vol.485 , pp. 191-195
    • Du, Q.S.1    Wang, S.Q.2    Huang, R.B.3    Chou, K.C.4
  • 35
    • 67349139888 scopus 로고    scopus 로고
    • Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus
    • Q.S. Du, R.B. Huang, C.H. Wang, X.M. Li, and K.C. Chou, Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus, J. Theor. Biol. 259 (2009), pp. 159-164.
    • (2009) J. Theor. Biol. , vol.259 , pp. 159-164
    • Du, Q.S.1    Huang, R.B.2    Wang, C.H.3    Li, X.M.4    Chou, K.C.5
  • 36
    • 0036084259 scopus 로고    scopus 로고
    • Efficient docking of peptides to proteins without prior knowledge of the binding site
    • DOI 10.1110/ps.0202302
    • C. Hetenyi and D. van der Spoel, Efficient docking of peptides to proteins without prior knowledge of the binding site, Protein Sci. 11 (2002), pp. 1729-1737. (Pubitemid 34663553)
    • (2002) Protein Science , vol.11 , Issue.7 , pp. 1729-1737
    • Hetenyi, C.1    Van Der Spoel, D.2
  • 37
    • 69349096918 scopus 로고    scopus 로고
    • Molecular docking study of A3 adenosine receptor antagonists and pharmacophore-based drug design
    • J. Wei, H. Li, W.L. Qu, and Q.Z. Gao, Molecular docking study of A3 adenosine receptor antagonists and pharmacophore-based drug design, Neurochem. Int. 55 (2009), pp. 637-642.
    • (2009) Neurochem. Int. , vol.55 , pp. 637-642
    • Wei, J.1    Li, H.2    Qu, W.L.3    Gao, Q.Z.4
  • 39
    • 77953290521 scopus 로고    scopus 로고
    • Molecular docking studies of phlorotannins from Eisenia bicyclis with BACE1 inhibitory activity
    • H.A. Jung, S.H. Oh, and J.S. Choi, Molecular docking studies of phlorotannins from Eisenia bicyclis with BACE1 inhibitory activity, Bioorg. Med. Chem. Lett. 20 (2010), pp. 3211-3215.
    • (2010) Bioorg. Med. Chem. Lett. , vol.20 , pp. 3211-3215
    • Jung, H.A.1    Oh, S.H.2    Choi, J.S.3
  • 45
    • 53149137775 scopus 로고    scopus 로고
    • Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: Generation of predictive pharmacophore model using Catalyst
    • M. Chopra, R. Gupta, S. Gupta, and D. Saluja, Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: Generation of predictive pharmacophore model using Catalyst, J. Mol. Model. 14 (2008), pp. 1087-1099.
    • (2008) J. Mol. Model. , vol.14 , pp. 1087-1099
    • Chopra, M.1    Gupta, R.2    Gupta, S.3    Saluja, D.4
  • 46
    • 68949178224 scopus 로고    scopus 로고
    • 3D pharmacophore models for thromboxane A2 receptor antagonists
    • J. Wei, Y.X. Liu, and S.Q. Wang, 3D pharmacophore models for thromboxane A2 receptor antagonists, J. Mol. Model. 15 (2009), pp. 1185-1191.
    • (2009) J. Mol. Model. , vol.15 , pp. 1185-1191
    • Wei, J.1    Liu, Y.X.2    Wang, S.Q.3
  • 47
    • 73449099919 scopus 로고    scopus 로고
    • 3D-QSAR study of corticotropin-releasing factor 1 antagonists and pharmacophorebased drug design
    • Y.D. Ye, Q.H. Liao, J. Wei, and Q.Z. Gao, 3D-QSAR study of corticotropin-releasing factor 1 antagonists and pharmacophorebased drug design, Neurochem. Int. 56 (2010), pp. 107-117.
    • (2010) Neurochem. Int. , vol.56 , pp. 107-117
    • Ye, Y.D.1    Liao, Q.H.2    Wei, J.3    Gao, Q.Z.4
  • 48
    • 0033532596 scopus 로고    scopus 로고
    • A model of the complex between cyclin-dependent kinase 5 and the activation domain of neuronal Cdk5 activator
    • DOI 10.1006/bbrc.1999.0792
    • K.C. Chou, K.D. Watenpaugh, and R.L. Heinrikson, A model of the complex between cyclin-dependent kinase 5 (Cdk5) and the activation domain of neuronal Cdk5 activator, Biochem. Biophys. Res. Commun. 259 (1999), pp. 420-428. (Pubitemid 29281247)
    • (1999) Biochemical and Biophysical Research Communications , vol.259 , Issue.2 , pp. 420-428
    • Chou, K.-C.1    Watenpaugh, K.D.2    Heinrikson, R.L.3
  • 49
    • 0037102948 scopus 로고    scopus 로고
    • Identification of the N-terminal functional domains of Cdk5 by molecular truncation and computer modeling
    • DOI 10.1002/prot.10173
    • J. Zhang, C.H. Luan, K.C. Chou, and G.V.W. Johnson, Identification of the N-terminal functional domains of Cdk5 by molecular truncation and computer modeling, Proteins 48 (2002), pp. 447-453. (Pubitemid 34810411)
    • (2002) Proteins: Structure, Function and Genetics , vol.48 , Issue.3 , pp. 447-453
    • Zhang, J.1    Luan, C.-H.2    Chou, K.-C.3    Johnson, G.V.W.4
  • 50
    • 2642517838 scopus 로고    scopus 로고
    • Insights from modelling the 3D structure of the extracellular domain of alpha7 nicotinic acetylcholine receptor
    • K.C. Chou, Insights from modelling the 3D structure of the extracellular domain of alpha7 nicotinic acetylcholine receptor, Biochem. Biophys. Res. Commun. 319 (2004), pp. 433-438.
    • (2004) Biochem. Biophys. Res. Commun. , vol.319 , pp. 433-438
    • Chou, K.C.1
  • 51
    • 33646160618 scopus 로고    scopus 로고
    • Insights from modeling the 3D structure of H5N1 influenza virus neuraminidase and its binding interactions with ligands
    • D.Q. Wei, Q.S. Du, H. Sun, and K.C. Chou, Insights from modeling the 3D structure of H5N1 influenza virus neuraminidase and its binding interactions with ligands, Biochem. Biophys. Res. Commun. 344 (2006), pp. 1048-1055.
    • (2006) Biochem. Biophys. Res. Commun. , vol.344 , pp. 1048-1055
    • Wei, D.Q.1    Du, Q.S.2    Sun, H.3    Chou, K.C.4
  • 52
    • 33846617350 scopus 로고    scopus 로고
    • Study of drug resistance of chicken influenza A virus (H5N1) from homology-modeled 3D structures of neuraminidases
    • S.Q. Wang, Q.S. Du, and K.C. Chou, Study of drug resistance of chicken influenza A virus (H5N1) from homology-modeled 3D structures of neuraminidases, Biochem. Biophys. Res. Commun. 354 (2007), pp. 634-640.
    • (2007) Biochem. Biophys. Res. Commun. , vol.354 , pp. 634-640
    • Wang, S.Q.1    Du, Q.S.2    Chou, K.C.3
  • 53
    • 33846052414 scopus 로고    scopus 로고
    • Inhibitor design for SARS coronavirus main protease based on "distorted key theory"
    • DOI 10.2174/157340607779317616
    • Q.S. Du, H. Sun, and K.C. Chou, Inhibitor design for SARS coronavirus main protease based on 'distorted key theory', Med. Chem. 3 (2007), pp. 1-6. (Pubitemid 46062335)
    • (2007) Medicinal Chemistry , vol.3 , Issue.1 , pp. 1-6
    • Du, Q.-S.1    Sun, H.2    Chou, K.-C.3
  • 54
    • 50149091918 scopus 로고    scopus 로고
    • Analysis of ligand binding to proteins using molecular dynamics simulations
    • M.R. Housaindokht, M.R. Bozorgmehr, and M. Bahrololoom, Analysis of ligand binding to proteins using molecular dynamics simulations, J. Theor. Biol. 254 (2008), pp. 294-300.
    • (2008) J. Theor. Biol. , vol.254 , pp. 294-300
    • Housaindokht, M.R.1    Bozorgmehr, M.R.2    Bahrololoom, M.3
  • 55
    • 33847129220 scopus 로고    scopus 로고
    • 3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design
    • DOI 10.1016/j.bbrc.2007.01.185, PII S0006291X07002665
    • J.F. Wang, D.Q. Wei, L. Li, S.Y. Zheng, Y.X. Li, and K.C. Chou, 3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design, Biochem. Biophys. Res. Commun. 355 (2007), pp. 513-519. (Pubitemid 46282658)
    • (2007) Biochemical and Biophysical Research Communications , vol.355 , Issue.2 , pp. 513-519
    • Wang, J.-F.1    Wei, D.-Q.2    Li, L.3    Zheng, S.-Y.4    Li, Y.-X.5    Chou, K.-C.6
  • 56
    • 56349166106 scopus 로고    scopus 로고
    • An in-depth analysis of the biological functional studies based on the NMR M2 channel structure of influenza A virus
    • R.B. Huang, Q.S. Du, C.H. Wang, and K.C. Chou, An in-depth analysis of the biological functional studies based on the NMR M2 channel structure of influenza A virus, Biochem. Biophys. Res. Commun. 377 (2008), pp. 1243-1247.
    • (2008) Biochem. Biophys. Res. Commun. , vol.377 , pp. 1243-1247
    • Huang, R.B.1    Du, Q.S.2    Wang, C.H.3    Chou, K.C.4
  • 57
    • 38749106195 scopus 로고    scopus 로고
    • Structure and mechanism of the M2 proton channel of influenza A virus
    • DOI 10.1038/nature06531, PII NATURE06531
    • J.R. Schnell and J.J. Chou, Structure and mechanism of the M2 proton channel of influenza A virus, Nature 451 (2008), pp. 591-595. (Pubitemid 351186272)
    • (2008) Nature , vol.451 , Issue.7178 , pp. 591-595
    • Schnell, J.R.1    Chou, J.J.2
  • 58
    • 0031449933 scopus 로고    scopus 로고
    • Prediction of the tertiary structure and substrate binding site of caspase-8
    • DOI 10.1016/S0014-5793(97)01246-5, PII S0014579397012465
    • K.C. Chou, D. Jones, and R.L. Heinrikson, Prediction of the tertiary structure and substrate binding site of caspase-8, FEBS Lett. 419 (1997), pp. 49-54. (Pubitemid 28011215)
    • (1997) FEBS Letters , vol.419 , Issue.1 , pp. 49-54
    • Chou, K.-C.1    Jones, D.2    Heinrikson, R.L.3
  • 59
    • 38849107581 scopus 로고    scopus 로고
    • Molecular modeling of two CYP2C19 SNPs and its implications for personalized drug design
    • DOI 10.2174/092986608783330305
    • J.F. Wang, D.Q. Wei, C. Chen, Y. Li, and K.C. Chou, Molecular modeling of two CYP2C19 SNPs and its implications for personalized drug design, Protein Peptide Lett. 15 (2008), pp. 27-32. (Pubitemid 351206472)
    • (2008) Protein and Peptide Letters , vol.15 , Issue.1 , pp. 27-32
    • Wang, J.-F.1    Wei, D.-Q.2    Chen, C.3    Li, Y.4    Chou, K.-C.5
  • 60
    • 67650073942 scopus 로고    scopus 로고
    • Investigation into adamantane-based M2 inhibitors with FB-QSAR
    • H. Wei, C.H. Wang, Q.S. Du, J. Meng, and K.C. Chou, Investigation into adamantane-based M2 inhibitors with FB-QSAR, Med. Chem. 5 (2009), pp. 305-317.
    • (2009) Med. Chem. , vol.5 , pp. 305-317
    • Wei, H.1    Wang, C.H.2    Du, Q.S.3    Meng, J.4    Chou, K.C.5
  • 61
    • 34249743013 scopus 로고    scopus 로고
    • Computational studies of the binding mechanism of calmodulin with chrysin
    • DOI 10.1016/j.bbrc.2007.05.053, PII S0006291X07010108
    • L. Li, D.Q. Wei, J.F. Wang, and K.C. Chou, Computational studies of the binding mechanism of calmodulin with chrysin, Biochem. Biophys. Res. Commun. 358 (2007), pp. 1102-1107. (Pubitemid 46829002)
    • (2007) Biochemical and Biophysical Research Communications , vol.358 , Issue.4 , pp. 1102-1107
    • Li, L.1    Wei, D.-Q.2    Wang, J.-F.3    Chou, K.-C.4
  • 62
    • 34249993539 scopus 로고    scopus 로고
    • Insights from modeling the 3D structure of NAD(P)H-dependent d-xylose reductase of Pichia stipitis and its binding interactions with NAD and NADP
    • DOI 10.1016/j.bbrc.2007.05.101, PII S0006291X07010534
    • J.F. Wang, D.Q. Wei, Y. Lin, Y.H. Wang, H.L. Du, Y.X. Li, and K.C. Chou, Insights from modeling the 3D structure of NAD(P)Hdependent D-xylose reductase of Pichia stipitis and its binding interactions with NAD and NADP, Biochem. Biophys. Res. Commun. 359 (2007), pp. 323-329. (Pubitemid 46887686)
    • (2007) Biochemical and Biophysical Research Communications , vol.359 , Issue.2 , pp. 323-329
    • Wang, J.-F.1    Wei, D.-Q.2    Lin, Y.3    Wang, Y.-H.4    Du, H.-L.5    Li, Y.-X.6    Chou, K.-C.7
  • 63
    • 67651180849 scopus 로고    scopus 로고
    • Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with alpha7 nicotinic acetylcholine receptor
    • R.X. Gu, H. Gu, Z.Y. Xie, J.F. Wang, H.R. Arias, D.Q. Wei, and K.C. Chou, Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with alpha7 nicotinic acetylcholine receptor, Med. Chem. 5 (2009), pp. 250-262.
    • (2009) Med. Chem. , vol.5 , pp. 250-262
    • Gu, R.X.1    Gu, H.2    Xie, Z.Y.3    Wang, J.F.4    Arias, H.R.5    Wei, D.Q.6    Chou, K.C.7
  • 64
    • 67651146680 scopus 로고    scopus 로고
    • Binding mechanism of H5N1 influenza virus neuraminidase with ligands and its implication for drug design
    • K. Gong, L. Li, J.F. Wang, F. Cheng, D.Q. Wei, and K.C. Chou, Binding mechanism of H5N1 influenza virus neuraminidase with ligands and its implication for drug design, Med. Chem. 5 (2009), pp. 242-249.
    • (2009) Med. Chem. , vol.5 , pp. 242-249
    • Gong, K.1    Li, L.2    Wang, J.F.3    Cheng, F.4    Wei, D.Q.5    Chou, K.C.6
  • 65
    • 67651177731 scopus 로고    scopus 로고
    • Binding of CYP2C9 with diverse drugs and its implications for metabolic mechanism
    • J.F. Wang, J.Y. Yan, D.Q. Wei, and K.C. Chou, Binding of CYP2C9 with diverse drugs and its implications for metabolic mechanism, Med. Chem. 5 (2009), pp. 263-270.
    • (2009) Med. Chem. , vol.5 , pp. 263-270
    • Wang, J.F.1    Yan, J.Y.2    Wei, D.Q.3    Chou, K.C.4
  • 66
    • 26844555290 scopus 로고    scopus 로고
    • Coupling interaction between thromboxane A2 receptor and alpha-13 subunit of guanine nucleotide-binding protein
    • K.C. Chou, Coupling interaction between thromboxane A2 receptor and alpha-13 subunit of guanine nucleotide-binding protein, J. Proteome. Res. 4 (2005), pp. 1681-1686.
    • (2005) J. Proteome. Res. , vol.4 , pp. 1681-1686
    • Chou, K.C.1
  • 67
    • 26844510847 scopus 로고    scopus 로고
    • NMR studies on how the binding complex of polyisoprenol recognition sequence peptides and polyisoprenols can modulate membrane structure
    • G.P. Zhou and F.A. Troy, NMR studies on how the binding complex of polyisoprenol recognition sequence peptides and polyisoprenols can modulate membrane structure, Curr. Protein Pept. Sci. 6 (2005), pp. 399-411.
    • (2005) Curr. Protein Pept. Sci. , vol.6 , pp. 399-411
    • Zhou, G.P.1    Troy, F.A.2
  • 68
    • 27744476837 scopus 로고    scopus 로고
    • Theoretical studies of Alzheimer's disease drug candidate 3-[(2,4-dimethoxy)benzylidene]-anabaseine (GTS-21) and its derivatives
    • DOI 10.1016/j.bbrc.2005.10.047, PII S0006291X05023004
    • D.Q. Wei, S. Sirois, Q.S. Du, H.R. Arias, and K.C. Chou, Theoretical studies of Alzheimer's disease drug candidate [(2,4- dimethoxy) benzylidene]-anabaseine dihydrochloride (GTS-21) and its derivatives, Biochem. Biophys. Res. Commun. 338 (2005), pp. 1059-1064. (Pubitemid 41597746)
    • (2005) Biochemical and Biophysical Research Communications , vol.338 , Issue.2 , pp. 1059-1064
    • Wei, D.-Q.1    Sirois, S.2    Du, Q.-S.3    Arias, H.R.4    Chou, K.-C.5
  • 69
    • 33846449105 scopus 로고    scopus 로고
    • Molecular insights of SAH enzyme catalysis and implication for inhibitor design
    • DOI 10.1016/j.jtbi.2006.09.011, PII S0022519306004127
    • H. Wei, R. Zhang, C. Wang, H. Zheng, K.C. Chou, and D.Q. Wei, Molecular insights of SAH enzyme catalysis and their implication for inhibitor design, J. Theor. Biol. 244 (2007), pp. 692-702. (Pubitemid 46148972)
    • (2007) Journal of Theoretical Biology , vol.244 , Issue.4 , pp. 692-702
    • Wei, H.1    Zhang, R.2    Wang, C.3    Zheng, H.4    Li, A.5    Chou, K.-C.6    Wei, D.-Q.7
  • 70
    • 13244290092 scopus 로고    scopus 로고
    • Molecular modeling and chemical modification for finding peptide inhibitor against severe acute respiratory syndrome coronavirus main proteinase
    • DOI 10.1016/j.ab.2004.10.003, PII S0003269704008061
    • Q.S. Du, S. Wang, D.Q. Wei, S. Sirois, and K.C. Chou, Molecular modelling and chemical modification for finding peptide inhibitor against SARS CoV Mpro, Anal. Biochem. 337 (2005), pp. 262-270. (Pubitemid 40187253)
    • (2005) Analytical Biochemistry , vol.337 , Issue.2 , pp. 262-270
    • Du, Q.1    Wang, S.2    Wei, D.3    Sirois, S.4    Chou, K.-C.5
  • 71
    • 33746172585 scopus 로고    scopus 로고
    • Molecular modeling studies of peptide drug candidates against SARS
    • DOI 10.2174/157340606776930736
    • R. Zhang, D.Q. Wei, Q.S. Du, and K.C. Chou, Molecular modeling studies of peptide drug candidates against SARS, Med. Chem. 2 (2006), pp. 309-314. (Pubitemid 44083150)
    • (2006) Medicinal Chemistry , vol.2 , Issue.3 , pp. 309-314
    • Zhang, R.1    Wei, D.-Q.2    Du, Q.-S.3    Chou, K.-C.4
  • 72
    • 69249222514 scopus 로고    scopus 로고
    • Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus
    • J.F. Wang, D.Q. Wei, and K.C. Chou, Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus, Biochem. Biophys. Res. Commun. 388 (2009), pp. 413-417.
    • (2009) Biochem. Biophys. Res. Commun. , vol.388 , pp. 413-417
    • Wang, J.F.1    Wei, D.Q.2    Chou, K.C.3
  • 73
    • 77949597169 scopus 로고    scopus 로고
    • Designing inhibitors of M2 proton channel against H1N1 swine influenza virus
    • Q.S. Du, R.B. Huang, S.Q. Wang, and K.C. Chou, Designing inhibitors of M2 proton channel against H1N1 swine influenza virus, PLoS ONE 5 (2010), p. e9388.
    • (2010) PLoS ONE , vol.5
    • Du, Q.S.1    Huang, R.B.2    Wang, S.Q.3    Chou, K.C.4
  • 74
    • 67650069265 scopus 로고    scopus 로고
    • Insights from investigating the interaction of oseltamivir (Tamiflu) with neuraminidase of the 2009 H1N1 swine flu virus
    • S.Q. Wang, Q.S. Du, R.B. Huang, D.W. Zhang, and K.C. Chou, Insights from investigating the interaction of oseltamivir (Tamiflu) with neuraminidase of the 2009 H1N1 swine flu virus, Biochem. Biophys. Res. Commun. 386 (2009), pp. 432-436.
    • (2009) Biochem. Biophys. Res. Commun. , vol.386 , pp. 432-436
    • Wang, S.Q.1    Du, Q.S.2    Huang, R.B.3    Zhang, D.W.4    Chou, K.C.5


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