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Volumn 13, Issue 1, 2012, Pages

Screening of selective histone deacetylase inhibitors by proteochemometric modeling

Author keywords

Histone deacetylases inhibitors; Proteochemometric; Selective inhibitors

Indexed keywords

ANTITUMOR DRUGS; BEST MODEL; CROSS-TERMS; DESCRIPTORS; HDAC INHIBITORS; HISTONE DEACETYLASE INHIBITOR; HISTONE DEACETYLASES; ISOFORMS; PCM MODEL; PREDICTIVE ABILITIES; PROTEIN STRUCTURES; PROTEOCHEMOMETRIC; Q-TESTS; SELECTIVE INHIBITORS; SEQUENCE SIMILARITY; SIDE EFFECT; STRUCTURE SIMILARITY;

EID: 84865189658     PISSN: None     EISSN: 14712105     Source Type: Journal    
DOI: 10.1186/1471-2105-13-212     Document Type: Article
Times cited : (29)

References (51)
  • 1
    • 77950679234 scopus 로고    scopus 로고
    • A structure-based virtual screening approach toward the discovery of histone deacetylase inhibitors: identification of promising zinc-chelating groups
    • Park H, Kim S, Kim YE, Lim SJ. A structure-based virtual screening approach toward the discovery of histone deacetylase inhibitors: identification of promising zinc-chelating groups. Chem Med Chem 2010, 5(4):591-597.
    • (2010) Chem Med Chem , vol.5 , Issue.4 , pp. 591-597
    • Park, H.1    Kim, S.2    Kim, Y.E.3    Lim, S.J.4
  • 2
    • 77950860448 scopus 로고    scopus 로고
    • Inside HDAC with HDAC inhibitors
    • 10.1016/j.ejmech.2010.02.030, 20223566
    • Bertrand P. Inside HDAC with HDAC inhibitors. Eur J Med Chem 2010, 45(6):2095-2116. 10.1016/j.ejmech.2010.02.030, 20223566.
    • (2010) Eur J Med Chem , vol.45 , Issue.6 , pp. 2095-2116
    • Bertrand, P.1
  • 3
    • 79959344464 scopus 로고    scopus 로고
    • Autophagic and apoptotic effects of HDAC inhibitors on cancer cells
    • 3100649, 21629704
    • Rikiishi H. Autophagic and apoptotic effects of HDAC inhibitors on cancer cells. J Biomed Biotechnol 2011, 2011:830260. 3100649, 21629704.
    • (2011) J Biomed Biotechnol , vol.2011 , pp. 830260
    • Rikiishi, H.1
  • 4
    • 61849144810 scopus 로고    scopus 로고
    • HDAC family: What are the cancer relevant targets?
    • 10.1016/j.canlet.2008.08.016, 18824292
    • Witt O, Deubzer HE, Milde T, Oehme I. HDAC family: What are the cancer relevant targets?. Cancer Lett 2009, 277(1):8-21. 10.1016/j.canlet.2008.08.016, 18824292.
    • (2009) Cancer Lett , vol.277 , Issue.1 , pp. 8-21
    • Witt, O.1    Deubzer, H.E.2    Milde, T.3    Oehme, I.4
  • 5
    • 0037444803 scopus 로고    scopus 로고
    • Histone deacetylases (HDACs): leftacterization of the classical HDAC family
    • 10.1042/BJ20021321, 1223209, 12429021
    • De Ruijter AJM, Van Gennip AH, Caron HN, Kemp S, Van Kuilenburg ABP. Histone deacetylases (HDACs): leftacterization of the classical HDAC family. Biochem J 2003, 370:737-749. 10.1042/BJ20021321, 1223209, 12429021.
    • (2003) Biochem J , vol.370 , pp. 737-749
    • De Ruijter, A.J.M.1    Van Gennip, A.H.2    Caron, H.N.3    Kemp, S.4    Van Kuilenburg, A.B.P.5
  • 6
    • 79960905171 scopus 로고    scopus 로고
    • Epigenetic modifications: novel therapeutic strategies for systemic sclerosis?
    • Jungel A, Distler JHW, Gay S, Distler O. Epigenetic modifications: novel therapeutic strategies for systemic sclerosis?. Expert Rev Clin Immu 2011, 7(4):475-480.
    • (2011) Expert Rev Clin Immu , vol.7 , Issue.4 , pp. 475-480
    • Jungel, A.1    Distler, J.H.W.2    Gay, S.3    Distler, O.4
  • 7
    • 0037112901 scopus 로고    scopus 로고
    • MDM2-HDAC1-mediated deacetylation of p53 is required for its degradation
    • 10.1093/emboj/cdf616, 137207, 12426395
    • Ito A, Kawaguchi Y, Lai CH, Kovacs JJ, Higashimoto Y, Appella E, Yao TP. MDM2-HDAC1-mediated deacetylation of p53 is required for its degradation. EMBO J 2002, 21(22):6236-6245. 10.1093/emboj/cdf616, 137207, 12426395.
    • (2002) EMBO J , vol.21 , Issue.22 , pp. 6236-6245
    • Ito, A.1    Kawaguchi, Y.2    Lai, C.H.3    Kovacs, J.J.4    Higashimoto, Y.5    Appella, E.6    Yao, T.P.7
  • 8
    • 17144378591 scopus 로고    scopus 로고
    • Inhibition of histone deacetylase 2 increases apoptosis and p21Cip1/WAF1 expression, independent of histone deacetylase 1
    • 10.1038/sj.cdd.4401567, 15665816
    • Huang BH, Laban M, Leung CH, Lee L, Lee CK, Salto-Tellez M, Raju GC, Hooi SC. Inhibition of histone deacetylase 2 increases apoptosis and p21Cip1/WAF1 expression, independent of histone deacetylase 1. Cell Death Differ 2005, 12(4):395-404. 10.1038/sj.cdd.4401567, 15665816.
    • (2005) Cell Death Differ , vol.12 , Issue.4 , pp. 395-404
    • Huang, B.H.1    Laban, M.2    Leung, C.H.3    Lee, L.4    Lee, C.K.5    Salto-Tellez, M.6    Raju, G.C.7    Hooi, S.C.8
  • 9
    • 0034617261 scopus 로고    scopus 로고
    • Histone deacetylases specifically down-regulate p53-dependent gene activation
    • 10.1074/jbc.M000202200, 10777477
    • Juan LJ, Shia WJ, Chen MH, Yang WM, Seto E, Lin YS, Wu CW. Histone deacetylases specifically down-regulate p53-dependent gene activation. J Biol Chem 2000, 275(27):20436-20443. 10.1074/jbc.M000202200, 10777477.
    • (2000) J Biol Chem , vol.275 , Issue.27 , pp. 20436-20443
    • Juan, L.J.1    Shia, W.J.2    Chen, M.H.3    Yang, W.M.4    Seto, E.5    Lin, Y.S.6    Wu, C.W.7
  • 10
    • 20444487771 scopus 로고    scopus 로고
    • Histone deacetylase HDAC8 associates with smooth muscle alpha-actin and is essential for smooth muscle cell contractility
    • Waltregny D, Glenisson W, Tran SL, North BJ, Verdin E, Colige A, Castronovo V. Histone deacetylase HDAC8 associates with smooth muscle alpha-actin and is essential for smooth muscle cell contractility. FASEB J 2005, 19(3):966.
    • (2005) FASEB J , vol.19 , Issue.3 , pp. 966
    • Waltregny, D.1    Glenisson, W.2    Tran, S.L.3    North, B.J.4    Verdin, E.5    Colige, A.6    Castronovo, V.7
  • 11
    • 58149389397 scopus 로고    scopus 로고
    • HDAC4 regulates neuronal survival in normal and diseased retinas
    • 10.1126/science.1166226, 3339762, 19131628
    • Chen B, Cepko CL. HDAC4 regulates neuronal survival in normal and diseased retinas. Science 2009, 323(5911):256-259. 10.1126/science.1166226, 3339762, 19131628.
    • (2009) Science , vol.323 , Issue.5911 , pp. 256-259
    • Chen, B.1    Cepko, C.L.2
  • 12
    • 29244473549 scopus 로고    scopus 로고
    • G beta gamma binds histone deacetylase 5 (HDAC5) and inhibits its transcriptional co-repression activity
    • 10.1074/jbc.M504066200, 16221676
    • Spiegelberg BD, Hamm HE. G beta gamma binds histone deacetylase 5 (HDAC5) and inhibits its transcriptional co-repression activity. J Biol Chem 2005, 280(50):41769-41776. 10.1074/jbc.M504066200, 16221676.
    • (2005) J Biol Chem , vol.280 , Issue.50 , pp. 41769-41776
    • Spiegelberg, B.D.1    Hamm, H.E.2
  • 13
    • 34447532435 scopus 로고    scopus 로고
    • Histone deacetylase 7 functions as a key regulator of genes involved in both positive and negative selection of thymocytes
    • 10.1128/MCB.02091-06, 1951960, 17470548
    • Kasler HG, Verdin E. Histone deacetylase 7 functions as a key regulator of genes involved in both positive and negative selection of thymocytes. Mol Cell Biol 2007, 27(14):5184-5200. 10.1128/MCB.02091-06, 1951960, 17470548.
    • (2007) Mol Cell Biol , vol.27 , Issue.14 , pp. 5184-5200
    • Kasler, H.G.1    Verdin, E.2
  • 14
    • 14544273663 scopus 로고    scopus 로고
    • Histone deacetylase 9 couples neuronal activity to muscle chromatin acetylation and gene expression
    • 10.1038/nn1408, 15711539
    • Mejat A, Ramond F, Bassel-Duby R, Khochbin S, Olson EN, Schaeffer L. Histone deacetylase 9 couples neuronal activity to muscle chromatin acetylation and gene expression. Nat Neurosci 2005, 8(3):313-321. 10.1038/nn1408, 15711539.
    • (2005) Nat Neurosci , vol.8 , Issue.3 , pp. 313-321
    • Mejat, A.1    Ramond, F.2    Bassel-Duby, R.3    Khochbin, S.4    Olson, E.N.5    Schaeffer, L.6
  • 15
    • 22844432021 scopus 로고    scopus 로고
    • Inhibition of histone deacetylase 6 acetylates and disrupts the chaperone function of heat shock protein 90 - a novel basis for antileukemia activity of histone deacetylase inhibitors
    • 10.1074/jbc.C500186200, 15937340
    • Bali P, Pranpat M, Bradner J, Balasis M, Fiskus W, Guo F, Rocha K, Kumaraswamy S, Boyapalle S, Atadja P, et al. Inhibition of histone deacetylase 6 acetylates and disrupts the chaperone function of heat shock protein 90 - a novel basis for antileukemia activity of histone deacetylase inhibitors. J Biol Chem 2005, 280(29):26729-26734. 10.1074/jbc.C500186200, 15937340.
    • (2005) J Biol Chem , vol.280 , Issue.29 , pp. 26729-26734
    • Bali, P.1    Pranpat, M.2    Bradner, J.3    Balasis, M.4    Fiskus, W.5    Guo, F.6    Rocha, K.7    Kumaraswamy, S.8    Boyapalle, S.9    Atadja, P.10
  • 16
    • 0036493156 scopus 로고    scopus 로고
    • Identification of HDAC10, a novel class II human histone deacetylase containing a leucine-rich domain
    • 10.1093/nar/30.5.1114, 101247, 11861901
    • Tong JJ, Liu J, Bertos NR, Yang XJ. Identification of HDAC10, a novel class II human histone deacetylase containing a leucine-rich domain. Nucleic Acids Res 2002, 30(5):1114-1123. 10.1093/nar/30.5.1114, 101247, 11861901.
    • (2002) Nucleic Acids Res , vol.30 , Issue.5 , pp. 1114-1123
    • Tong, J.J.1    Liu, J.2    Bertos, N.R.3    Yang, X.J.4
  • 17
    • 33947153008 scopus 로고    scopus 로고
    • Multiple histone deacetylases repress tumor suppressor gene ARHI in breast cancer
    • 10.1002/ijc.22474, 17230502
    • Feng W, Lu Z, Luo RZ, Zhang X, Seto E, Liao WS, Yu Y. Multiple histone deacetylases repress tumor suppressor gene ARHI in breast cancer. Int J Cancer 2007, 120(8):1664-1668. 10.1002/ijc.22474, 17230502.
    • (2007) Int J Cancer , vol.120 , Issue.8 , pp. 1664-1668
    • Feng, W.1    Lu, Z.2    Luo, R.Z.3    Zhang, X.4    Seto, E.5    Liao, W.S.6    Yu, Y.7
  • 18
    • 70349163934 scopus 로고    scopus 로고
    • Explorative study on isoform-selective histone deacetylase inhibitors
    • Suzuki T. Explorative study on isoform-selective histone deacetylase inhibitors. Chem Pharm Bull(Tokyo) 2009, 57(9):897-906.
    • (2009) Chem Pharm Bull(Tokyo) , vol.57 , Issue.9 , pp. 897-906
    • Suzuki, T.1
  • 19
    • 84855664363 scopus 로고    scopus 로고
    • Docking study of HIV-1 reverse transcriptase with phytochemicals
    • 10.6026/97320630005430, 3055157, 21423889
    • Seal A, Aykkal R, Babu RO, Ghosh M. Docking study of HIV-1 reverse transcriptase with phytochemicals. Bioinformation 2011, 5(10):430-439. 10.6026/97320630005430, 3055157, 21423889.
    • (2011) Bioinformation , vol.5 , Issue.10 , pp. 430-439
    • Seal, A.1    Aykkal, R.2    Babu, R.O.3    Ghosh, M.4
  • 20
    • 79954826786 scopus 로고    scopus 로고
    • Insight into potential toxicity mechanisms of melamine: An in silico study
    • Ma C, Kang H, Liu Q, Zhu RX, Cao ZW. Insight into potential toxicity mechanisms of melamine: An in silico study. Toxicology 2011, 283(2-3):96-100.
    • (2011) Toxicology , vol.283 , Issue.2-3 , pp. 96-100
    • Ma, C.1    Kang, H.2    Liu, Q.3    Zhu, R.X.4    Cao, Z.W.5
  • 21
    • 79957828077 scopus 로고    scopus 로고
    • Investigations on inhibitors of hedgehog signal pathway: a quantitative structure-activity relationship study
    • 3116172, 21686166
    • Zhu RX, Liu Q, Tang J, Li HL, Cao ZW. Investigations on inhibitors of hedgehog signal pathway: a quantitative structure-activity relationship study. Int J Mol Sci 2011, 12(5):3018-3033. 3116172, 21686166.
    • (2011) Int J Mol Sci , vol.12 , Issue.5 , pp. 3018-3033
    • Zhu, R.X.1    Liu, Q.2    Tang, J.3    Li, H.L.4    Cao, Z.W.5
  • 22
    • 79960562727 scopus 로고    scopus 로고
    • Multi-target QSAR modelling in the analysis and design of HIV-HCV co-inhibitors: an in-silico study
    • Liu Q, Zhou H, Liu L, Chen X, Zhu RX, Cao ZW. Multi-target QSAR modelling in the analysis and design of HIV-HCV co-inhibitors: an in-silico study. BMC Bioinforma 2011, 12:294.
    • (2011) BMC Bioinforma , vol.12 , pp. 294
    • Liu, Q.1    Zhou, H.2    Liu, L.3    Chen, X.4    Zhu, R.X.5    Cao, Z.W.6
  • 23
    • 78349294619 scopus 로고    scopus 로고
    • Multi-target QSAR study in the analysis and design of HIV-1 inhibitors
    • Liu Q, Che DS, Huang Q, Cao ZW, Zhu RX. Multi-target QSAR study in the analysis and design of HIV-1 inhibitors. Chinese J Chem 2010, 28(9):1587-1592.
    • (2010) Chinese J Chem , vol.28 , Issue.9 , pp. 1587-1592
    • Liu, Q.1    Che, D.S.2    Huang, Q.3    Cao, Z.W.4    Zhu, R.X.5
  • 24
    • 84859168629 scopus 로고    scopus 로고
    • Comparison of ligand-, target structure-, and protein-ligand interaction fingerprint-based virtual screening methods
    • Huang D, Kang H, Zhang DF, Sheng Z, Liu Q, Zhu RX, Cao ZW. Comparison of ligand-, target structure-, and protein-ligand interaction fingerprint-based virtual screening methods. Acta Chim Sinica 2011, 69(5):515-522.
    • (2011) Acta Chim Sinica , vol.69 , Issue.5 , pp. 515-522
    • Huang, D.1    Kang, H.2    Zhang, D.F.3    Sheng, Z.4    Liu, Q.5    Zhu, R.X.6    Cao, Z.W.7
  • 25
    • 84859201174 scopus 로고    scopus 로고
    • Virtual drug screen schema based on multiview similarity integration and ranking aggregation
    • 10.1021/ci200481c, 22332590
    • Kang H, Sheng Z, Zhu R, Huang Q, Liu Q, Cao Z. Virtual drug screen schema based on multiview similarity integration and ranking aggregation. J Chem Inf Model 2012, 52(3):834-843. 10.1021/ci200481c, 22332590.
    • (2012) J Chem Inf Model , vol.52 , Issue.3 , pp. 834-843
    • Kang, H.1    Sheng, Z.2    Zhu, R.3    Huang, Q.4    Liu, Q.5    Cao, Z.6
  • 26
    • 84864328896 scopus 로고    scopus 로고
    • A new protein-ligand binding sites prediction method based on the integration of protein sequence conservation information
    • Dai T, Liu Q, Gao J, Cao ZW, Zhu RX. A new protein-ligand binding sites prediction method based on the integration of protein sequence conservation information. BMC Bioinforma 2011, 12(Suppl 14):S9.
    • (2011) BMC Bioinforma , vol.12 , Issue.SUPPL. 14
    • Dai, T.1    Liu, Q.2    Gao, J.3    Cao, Z.W.4    Zhu, R.X.5
  • 27
    • 84859180490 scopus 로고    scopus 로고
    • A new fingerprint of chemical compounds and its application to drugs virtual screening
    • Sheng Z, Huang Q, Kang H, Liu Q, Cao ZW, Zhu RX. A new fingerprint of chemical compounds and its application to drugs virtual screening. Acta Chim Sinica 2011, 69(16):1845-1850.
    • (2011) Acta Chim Sinica , vol.69 , Issue.16 , pp. 1845-1850
    • Sheng, Z.1    Huang, Q.2    Kang, H.3    Liu, Q.4    Cao, Z.W.5    Zhu, R.X.6
  • 28
    • 84871557897 scopus 로고    scopus 로고
    • Complementary study of structure features and gene profile features for chemical compounds
    • Sheng Z, Kang H, Dai TL, Liu Q, Zhu RX. Complementary study of structure features and gene profile features for chemical compounds. Acta Chim Sinica 2010, 68(23):2395-2400.
    • (2010) Acta Chim Sinica , vol.68 , Issue.23 , pp. 2395-2400
    • Sheng, Z.1    Kang, H.2    Dai, T.L.3    Liu, Q.4    Zhu, R.X.5
  • 29
    • 79957807265 scopus 로고    scopus 로고
    • Novel natural inhibitors of CYP1A2 identified by in silico and in vitro screening
    • 3116189, 21686183
    • Zhu RX, Hu LW, Li HY, Su J, Cao ZW, Zhang WD. Novel natural inhibitors of CYP1A2 identified by in silico and in vitro screening. Int J Mol Sci 2011, 12(5):3250-3262. 3116189, 21686183.
    • (2011) Int J Mol Sci , vol.12 , Issue.5 , pp. 3250-3262
    • Zhu, R.X.1    Hu, L.W.2    Li, H.Y.3    Su, J.4    Cao, Z.W.5    Zhang, W.D.6
  • 30
    • 66249085197 scopus 로고    scopus 로고
    • Proteochemometric modeling of drug resistance over the mutational space for multiple HIV protease variants and multiple protease inhibitors
    • 10.1021/ci800453k, 19391634
    • Lapins M, Wikberg JES. Proteochemometric modeling of drug resistance over the mutational space for multiple HIV protease variants and multiple protease inhibitors. J Chem Inf Model 2009, 49(5):1202-1210. 10.1021/ci800453k, 19391634.
    • (2009) J Chem Inf Model , vol.49 , Issue.5 , pp. 1202-1210
    • Lapins, M.1    Wikberg, J.E.S.2
  • 31
    • 11244311579 scopus 로고    scopus 로고
    • Proteochemometric mapping of the interaction of organic compounds with melanocortin receptor subtypes
    • 10.1124/mol.104.002857, 15470082
    • Lapinsh M, Veiksina S, Uhlen S, Petrovska R, Mutule I, Mutulis F, Yahorava S, Prusis P, Wikberg JES. Proteochemometric mapping of the interaction of organic compounds with melanocortin receptor subtypes. Mol Pharmacol 2005, 67(1):50-59. 10.1124/mol.104.002857, 15470082.
    • (2005) Mol Pharmacol , vol.67 , Issue.1 , pp. 50-59
    • Lapinsh, M.1    Veiksina, S.2    Uhlen, S.3    Petrovska, R.4    Mutule, I.5    Mutulis, F.6    Yahorava, S.7    Prusis, P.8    Wikberg, J.E.S.9
  • 32
    • 0038115355 scopus 로고    scopus 로고
    • QSAR and proteo-chemometric analysis of the interaction of a series of organic compounds with melanocortin receptor subtypes
    • 10.1021/jm020945m, 12801221
    • Lapinsh M, Prusis P, Mutule I, Mutulis F, Wikberg JES. QSAR and proteo-chemometric analysis of the interaction of a series of organic compounds with melanocortin receptor subtypes. J Med Chem 2003, 46(13):2572-2579. 10.1021/jm020945m, 12801221.
    • (2003) J Med Chem , vol.46 , Issue.13 , pp. 2572-2579
    • Lapinsh, M.1    Prusis, P.2    Mutule, I.3    Mutulis, F.4    Wikberg, J.E.S.5
  • 33
    • 66149090260 scopus 로고    scopus 로고
    • Ligand prediction from protein sequence and small molecule information using support vector machines and fingerprint descriptors
    • 10.1021/ci900004a, 19309114
    • Geppert H, Humrich J, Stumpfe D, Gartner T, Bajorath J. Ligand prediction from protein sequence and small molecule information using support vector machines and fingerprint descriptors. J Chem Inf Model 2009, 49(4):767-779. 10.1021/ci900004a, 19309114.
    • (2009) J Chem Inf Model , vol.49 , Issue.4 , pp. 767-779
    • Geppert, H.1    Humrich, J.2    Stumpfe, D.3    Gartner, T.4    Bajorath, J.5
  • 35
    • 34547782241 scopus 로고    scopus 로고
    • Proteochemometric modelling of antibody-antigen interactions using SPOT synthesised peptide arrays
    • 10.1093/protein/gzm022, 17588963
    • Mandrika I, Prusis P, Yahorava S, Shikhagaie M, Wikberg JES. Proteochemometric modelling of antibody-antigen interactions using SPOT synthesised peptide arrays. Protein Eng Des Sel 2007, 20(6):301-307. 10.1093/protein/gzm022, 17588963.
    • (2007) Protein Eng Des Sel , vol.20 , Issue.6 , pp. 301-307
    • Mandrika, I.1    Prusis, P.2    Yahorava, S.3    Shikhagaie, M.4    Wikberg, J.E.S.5
  • 36
    • 28444472402 scopus 로고    scopus 로고
    • Improved approach for proteochemometrics modeling: application to organic compound - amine G protein-coupled receptor interactions
    • 10.1093/bioinformatics/bti703, 16204343
    • Lapinsh M, Prusis P, Uhlen S, Wikberg JES. Improved approach for proteochemometrics modeling: application to organic compound - amine G protein-coupled receptor interactions. Bioinformatics 2005, 21(23):4289-4296. 10.1093/bioinformatics/bti703, 16204343.
    • (2005) Bioinformatics , vol.21 , Issue.23 , pp. 4289-4296
    • Lapinsh, M.1    Prusis, P.2    Uhlen, S.3    Wikberg, J.E.S.4
  • 37
    • 79952520897 scopus 로고    scopus 로고
    • Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
    • van Westen GJP, Wegner JK, IJzerman AP, van Vlijmen HWT, Bender A. Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets. Med Chem Comm 2011, 2(1):16-30.
    • (2011) Med Chem Comm , vol.2 , Issue.1 , pp. 16-30
    • van Westen, G.J.P.1    Wegner, J.K.2    IJzerman, A.P.3    van Vlijmen, H.W.T.4    Bender, A.5
  • 38
    • 82255179058 scopus 로고    scopus 로고
    • Using OVA modeling to improve classification performance for large datasets
    • Lutu PEN, Engelbrecht AP. Using OVA modeling to improve classification performance for large datasets. Expert Syst Appl 2012, 39(4):4358-4376.
    • (2012) Expert Syst Appl , vol.39 , Issue.4 , pp. 4358-4376
    • Lutu, P.E.N.1    Engelbrecht, A.P.2
  • 39
    • 0034201441 scopus 로고    scopus 로고
    • EMBOSS: the European molecular biology open software suite
    • 10.1016/S0168-9525(00)02024-2, 10827456
    • Rice P, Longden I, Bleasby A. EMBOSS: the European molecular biology open software suite. Trends Genet 2000, 16(6):276-277. 10.1016/S0168-9525(00)02024-2, 10827456.
    • (2000) Trends Genet , vol.16 , Issue.6 , pp. 276-277
    • Rice, P.1    Longden, I.2    Bleasby, A.3
  • 40
    • 84872282009 scopus 로고    scopus 로고
    • EMBOSS http://www.ebi.ac.uk/Tools/emboss/align/index.html.
    • EMBOSS
  • 43
    • 0034351504 scopus 로고    scopus 로고
    • A widely applicable set of descriptors
    • Labute P. A widely applicable set of descriptors. J Mol Graph Model 2000, 18(4-5):464-477.
    • (2000) J Mol Graph Model , vol.18 , Issue.4-5 , pp. 464-477
    • Labute, P.1
  • 44
    • 0034266313 scopus 로고    scopus 로고
    • Drug-like index: a new approach to measure drug-like compounds and their diversity
    • Xu J, Stevenson J. Drug-like index: a new approach to measure drug-like compounds and their diversity. J Chem Inf Comp Sci 2000, 40(5):1177-1187.
    • (2000) J Chem Inf Comp Sci , vol.40 , Issue.5 , pp. 1177-1187
    • Xu, J.1    Stevenson, J.2
  • 45
    • 0042034151 scopus 로고    scopus 로고
    • A new method to estimate ligand-receptor energetics
    • 10.1074/mcp.M200054-MCP200, 12488466
    • Bock JR, Gough DA. A new method to estimate ligand-receptor energetics. Mol Cell Proteomics 2002, 1(11):904-910. 10.1074/mcp.M200054-MCP200, 12488466.
    • (2002) Mol Cell Proteomics , vol.1 , Issue.11 , pp. 904-910
    • Bock, J.R.1    Gough, D.A.2
  • 46
    • 26944463088 scopus 로고    scopus 로고
    • Virtual screen for ligands of orphan G protein-coupled receptors
    • 10.1021/ci050006d, 16180917
    • Bock JR, Gough DA. Virtual screen for ligands of orphan G protein-coupled receptors. J Chem Inf Model 2005, 45(5):1402-1414. 10.1021/ci050006d, 16180917.
    • (2005) J Chem Inf Model , vol.45 , Issue.5 , pp. 1402-1414
    • Bock, J.R.1    Gough, D.A.2
  • 47
    • 57549114279 scopus 로고    scopus 로고
    • Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space
    • 10.1021/ci800200e, 18937438
    • Stroembergsson H, Daniluk P, Kryshtafovych A, Fidelis K, Wikberg JES, Kleywegt GJ, Hvidsten TR. Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space. J Chem Inf Model 2008, 48(11):2278-2288. 10.1021/ci800200e, 18937438.
    • (2008) J Chem Inf Model , vol.48 , Issue.11 , pp. 2278-2288
    • Stroembergsson, H.1    Daniluk, P.2    Kryshtafovych, A.3    Fidelis, K.4    Wikberg, J.E.S.5    Kleywegt, G.J.6    Hvidsten, T.R.7
  • 48
    • 52749098733 scopus 로고    scopus 로고
    • Virtual screening of GPCRs: an in silico chemogenomics approach
    • Jacob L, Hoffmann B, Stoven V, Vert JP. Virtual screening of GPCRs: an in silico chemogenomics approach. BMC Bioinforma 2008, 9:363.
    • (2008) BMC Bioinforma , vol.9 , pp. 363
    • Jacob, L.1    Hoffmann, B.2    Stoven, V.3    Vert, J.P.4
  • 49
    • 72949114936 scopus 로고    scopus 로고
    • Multi-assay-based structure-activity relationship models: improving structure-activity relationship models by incorporating activity information from related targets
    • 10.1021/ci900182q, 19842624
    • Ning X, Rangwala H, Karypis G. Multi-assay-based structure-activity relationship models: improving structure-activity relationship models by incorporating activity information from related targets. J Chem Inf Model 2009, 49(11):2444-2456. 10.1021/ci900182q, 19842624.
    • (2009) J Chem Inf Model , vol.49 , Issue.11 , pp. 2444-2456
    • Ning, X.1    Rangwala, H.2    Karypis, G.3
  • 50
    • 77954071785 scopus 로고    scopus 로고
    • Proteochemometric recognition of stable kinase inhibition complexes using topological autocorrelation and Support Vector Machines
    • 10.1021/ci1000532, 20524632
    • Fernandez M, Ahmad S, Sarai A. Proteochemometric recognition of stable kinase inhibition complexes using topological autocorrelation and Support Vector Machines. J Chem Inf Model 2010, 50(6):1179-1188. 10.1021/ci1000532, 20524632.
    • (2010) J Chem Inf Model , vol.50 , Issue.6 , pp. 1179-1188
    • Fernandez, M.1    Ahmad, S.2    Sarai, A.3
  • 51
    • 33644845063 scopus 로고    scopus 로고
    • Facilitating the application of support vector regression by using a universal Pearson VII function based kernel
    • Ustun B, Melssen WJ, Buydens LMC. Facilitating the application of support vector regression by using a universal Pearson VII function based kernel. Chemometr Intell Lab 2006, 81(1):29-40.
    • (2006) Chemometr Intell Lab , vol.81 , Issue.1 , pp. 29-40
    • Ustun, B.1    Melssen, W.J.2    Buydens, L.M.C.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.