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Volumn 51, Issue 10, 2008, Pages 946-957

A novel vector of topological and structural information for amino acids and its QSAR applications for peptides and analogues

Author keywords

Molecular structural characterizing descriptors (MSCD); Peptide quantitative structure activity relationship (pQSAR); Vector of topological and structural information for coded and noncoded amino acids (VTSA)

Indexed keywords

ACIDS; AMINATION; AMINES; AMINO ACIDS; BIOCHEMISTRY; CURVE FITTING; FINANCIAL DATA PROCESSING; FOOD ADDITIVES; LEAST SQUARES APPROXIMATIONS; NEURAL NETWORKS; ORGANIC ACIDS; SULFUR COMPOUNDS; SUPPORT VECTOR MACHINES; TOPOLOGY; VECTORS;

EID: 52049089484     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-008-0040-5     Document Type: Article
Times cited : (5)

References (46)
  • 1
    • 0021931978 scopus 로고
    • A statistical analysis of the physical properties of the 20 naturally occuring amino acids
    • A. Kidera Y. Konishi M. Oka 1985 A statistical analysis of the physical properties of the 20 naturally occuring amino acids J Protein Chem 4 23 55
    • (1985) J Protein Chem , vol.4 , pp. 23-55
    • Kidera, A.1    Konishi, Y.2    Oka, M.3
  • 2
    • 0000610485 scopus 로고    scopus 로고
    • MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies
    • A. Zaliani E. Gancia 1999 MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies J Chem Inf Comput Sci 39 525 533
    • (1999) J Chem Inf Comput Sci , vol.39 , pp. 525-533
    • Zaliani, A.1    Gancia, E.2
  • 3
    • 4444340522 scopus 로고    scopus 로고
    • A novel MHDV descriptor for dipeptide QSAR studies
    • S. S. Liu S. X. Cai C. S. Yin 2001 A novel MHDV descriptor for dipeptide QSAR studies J Chin Chem Soc 48 253 260
    • (2001) J Chin Chem Soc , vol.48 , pp. 253-260
    • Liu, S.S.1    Cai, S.X.2    Yin, C.S.3
  • 4
    • 0033087210 scopus 로고    scopus 로고
    • Topological shape and size of peptides: Identification of potential allele specific helper T cell antigenic sites
    • C. Raychaudhury A. Banerjee P. Bag 1999 Topological shape and size of peptides: Identification of potential allele specific helper T cell antigenic sites J Chem Inf Comput Sci 39 248 254
    • (1999) J Chem Inf Comput Sci , vol.39 , pp. 248-254
    • Raychaudhury, C.1    Banerjee, A.2    Bag, P.3
  • 5
    • 67349189383 scopus 로고
    • The kinetics of formation of native ribonuclease during oxidation of the reduced polypeptide chain
    • C. B. Anfinsen E. Haber M. Sela 1961 The kinetics of formation of native ribonuclease during oxidation of the reduced polypeptide chain Proc Natl Acad Sci USA 47 1309 1318
    • (1961) Proc Natl Acad Sci USA , vol.47 , pp. 1309-1318
    • Anfinsen, C.B.1    Haber, E.2    Sela, M.3
  • 6
    • 0013965569 scopus 로고
    • Relations between chemical structure and biological activity in peptides
    • P. H. Sneath 1966 Relations between chemical structure and biological activity in peptides J Theor Biol 12 157 195
    • (1966) J Theor Biol , vol.12 , pp. 157-195
    • Sneath, P.H.1
  • 7
    • 0022636036 scopus 로고
    • The prediction of bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship
    • S. Hellberg M. Sjostrom S. Wold 1986 The prediction of bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship Acta Chem Scand 40 135 140
    • (1986) Acta Chem Scand , vol.40 , pp. 135-140
    • Hellberg, S.1    Sjostrom, M.2    Wold, S.3
  • 8
    • 0023192524 scopus 로고
    • Peptide quantitative structure-activity relationships, a multivariate approach
    • S. Hellberg M. Sjostrom B. Skagerberg 1987 Peptide quantitative structure-activity relationships, a multivariate approach J Med Chem 30 1126 1135
    • (1987) J Med Chem , vol.30 , pp. 1126-1135
    • Hellberg, S.1    Sjostrom, M.2    Skagerberg, B.3
  • 9
    • 0029031962 scopus 로고
    • Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues
    • E. R. Collantes W. J. Dunn 1995 Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues J Med Chem 38 2705 2713
    • (1995) J Med Chem , vol.38 , pp. 2705-2713
    • Collantes, E.R.1    Dunn, W.J.2
  • 10
    • 0024425633 scopus 로고
    • Multivariate parameterization of 55 coded and non-coded amino acids
    • J. Jonsson L. Eriksson S. Hellberg 1989 Multivariate parameterization of 55 coded and non-coded amino acids Quant Strut-Act Relat 8 204 209
    • (1989) Quant Strut-Act Relat , vol.8 , pp. 204-209
    • Jonsson, J.1    Eriksson, L.2    Hellberg, S.3
  • 11
    • 0032474777 scopus 로고    scopus 로고
    • New chemical descriptors for the design of biologically active peptides. A multivariate characterization of 87 amino acids
    • M. Sandberg L. Eriksson J. Jonsson 1998 New chemical descriptors for the design of biologically active peptides. A multivariate characterization of 87 amino acids J Med Chem 41 2481 2491
    • (1998) J Med Chem , vol.41 , pp. 2481-2491
    • Sandberg, M.1    Eriksson, L.2    Jonsson, J.3
  • 12
    • 8544254107 scopus 로고
    • Structural determination of paraffin boiling point
    • H. Winer 1947 Structural determination of paraffin boiling point J Am Chem Soc 69 2636 2641
    • (1947) J Am Chem Soc , vol.69 , pp. 2636-2641
    • Winer, H.1
  • 13
    • 0001219776 scopus 로고
    • Topological index. A new proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons
    • H. Hosoya 1971 Topological index. A new proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons Bull Chem Soc 44 2332 2339
    • (1971) Bull Chem Soc , vol.44 , pp. 2332-2339
    • Hosoya, H.1
  • 14
    • 8644280181 scopus 로고
    • On characterization of molecular branching
    • M. Randic 1975 On characterization of molecular branching J Am Chem Soc 97 6609 6615
    • (1975) J Am Chem Soc , vol.97 , pp. 6609-6615
    • Randic, M.1
  • 15
    • 9444296174 scopus 로고
    • High discrimination distance-based topological index
    • A. T. Balaban 1982 High discrimination distance-based topological index Chem Phys Lett 89 399 404
    • (1982) Chem Phys Lett , vol.89 , pp. 399-404
    • Balaban, A.T.1
  • 17
    • 0000203948 scopus 로고
    • Application of topological indices to gas chromatographic data: Calculation of the retention indices of isomeric alkylbenzenes
    • D. Bonchev O. Mekenjan G. Protic 1979 Application of topological indices to gas chromatographic data: Calculation of the retention indices of isomeric alkylbenzenes J Chromatogr 176 149 156
    • (1979) J Chromatogr , vol.176 , pp. 149-156
    • Bonchev, D.1    Mekenjan, O.2    Protic, G.3
  • 18
    • 0020735704 scopus 로고
    • Prediction of gas chromatographic retention indexes with topological, physicochemical, and quantum-chemical parameters
    • L. Buydens D. L. Massart P. Geerlings 1983 Prediction of gas chromatographic retention indexes with topological, physicochemical, and quantum-chemical parameters Anal Chem 55 738 744
    • (1983) Anal Chem , vol.55 , pp. 738-744
    • Buydens, L.1    Massart, D.L.2    Geerlings, P.3
  • 19
    • 52049090938 scopus 로고
    • Molecular connectivity in chemistry and drug research
    • D. J. Call 1995 Molecular connectivity in chemistry and drug research Environ Toxicol Chem 4 10 19
    • (1995) Environ Toxicol Chem , vol.4 , pp. 10-19
    • Call, D.J.1
  • 20
    • 0002524571 scopus 로고    scopus 로고
    • Comparative study of topological and geometrical parameters in estimating normal boiling points and octanol/water partition coefficient
    • A. C. Basak B. D. Gute G. D. Grunwald 1996 Comparative study of topological and geometrical parameters in estimating normal boiling points and octanol/water partition coefficient J Chem Inf Comput Sci 36 1054 1060
    • (1996) J Chem Inf Comput Sci , vol.36 , pp. 1054-1060
    • Basak, A.C.1    Gute, B.D.2    Grunwald, G.D.3
  • 22
    • 0037165968 scopus 로고    scopus 로고
    • The 22nd amino acid
    • J. F. Atkins R. Gesteland 2002 The 22nd amino acid Science 296 1409 1410
    • (2002) Science , vol.296 , pp. 1409-1410
    • Atkins, J.F.1    Gesteland, R.2
  • 23
    • 0034363409 scopus 로고    scopus 로고
    • Progress in modification of bioactive peptides with non-protein amino acids and their application in the studies of structure-activity relationship
    • 3
    • A. X. Yan G. L. Tian Y. H. Ye 2000 Progress in modification of bioactive peptides with non-protein amino acids and their application in the studies of structure-activity relationship Chin J Org Chem (in Chinese) 20 3 299 305
    • (2000) Chin J Org Chem (In Chinese) , vol.20 , pp. 299-305
    • Yan, A.X.1    Tian, G.L.2    Ye, Y.H.3
  • 24
    • 0022730806 scopus 로고
    • The structure of the mouse glutathione peroxidase gene: The selenocysteine in the active site is encoded by the termination codon TGA
    • I. Chambers J. Frampton P. Goldfarb 1986 The structure of the mouse glutathione peroxidase gene: The selenocysteine in the active site is encoded by the termination codon TGA EMBO J 5 1221 1227
    • (1986) EMBO J , vol.5 , pp. 1221-1227
    • Chambers, I.1    Frampton, J.2    Goldfarb, P.3
  • 25
    • 0037166006 scopus 로고    scopus 로고
    • Pyrrolysine encoded by UGA in archaea: Charging of a UAG-decoding specialized tRNA
    • G. Srinivasan C. M. James J. K. Krzycki 2002 Pyrrolysine encoded by UGA in archaea: Charging of a UAG-decoding specialized tRNA Science 296 1459 1462
    • (2002) Science , vol.296 , pp. 1459-1462
    • Srinivasan, G.1    James, C.M.2    Krzycki, J.K.3
  • 26
    • 0032012086 scopus 로고    scopus 로고
    • Rational combinatorial library design. 2. Rational design of targeted combinatorialn peptide libraries using chemical similarity probe and the inverse QSAR approaches
    • S. J. Cho W. Zheng A. Tropsha 1998 Rational combinatorial library design. 2. Rational design of targeted combinatorialn peptide libraries using chemical similarity probe and the inverse QSAR approaches J Chem Inf Comput Sci 38 259 268
    • (1998) J Chem Inf Comput Sci , vol.38 , pp. 259-268
    • Cho, S.J.1    Zheng, W.2    Tropsha, A.3
  • 27
    • 26044447950 scopus 로고    scopus 로고
    • Artificial neural networks design and implementation. Based on evolutionary computation
    • 3
    • Y. Y. He F. L. Zhu B. L. Zhong 2001 Artificial neural networks design and implementation. Based on evolutionary computation Control and Decision (in Chinese) 16 3 257 262
    • (2001) Control and Decision (In Chinese) , vol.16 , pp. 257-262
    • He, Y.Y.1    Zhu, F.L.2    Zhong, B.L.3
  • 29
    • 0027218386 scopus 로고
    • Using genetic algorithms for an artificial neural network model inversion
    • A. P. De Weijer C. B. Lucasius L. M. C. Buydens 1993 Using genetic algorithms for an artificial neural network model inversion Chemom Intell Lab Syst 20 45 55
    • (1993) Chemom Intell Lab Syst , vol.20 , pp. 45-55
    • De Weijer, A.P.1    Lucasius, C.B.2    Buydens, L.M.C.3
  • 34
    • 0028467707 scopus 로고
    • Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships
    • D. Rogers A. J. Hopfinger 1994 Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships J Chem Inf Comput Sci 34 854 866
    • (1994) J Chem Inf Comput Sci , vol.34 , pp. 854-866
    • Rogers, D.1    Hopfinger, A.J.2
  • 35
    • 0002343859 scopus 로고    scopus 로고
    • Introduction to statistical learning theory and support vector machines
    • 1
    • X. G. Zhang 2000 Introduction to statistical learning theory and support vector machines Acta Automatica Sinica (in Chinese) 26 1 32 42
    • (2000) Acta Automatica Sinica (In Chinese) , vol.26 , pp. 32-42
    • Zhang, X.G.1
  • 36
    • 37049109587 scopus 로고
    • The Design and synthesis of new triazolo-, pyrazolo-, and pyridazo-pyridazine derivatives as inhibitors of angiotensin converting enzyme
    • C. H. Hassell 1984 The Design and synthesis of new triazolo-, pyrazolo-, and pyridazo-pyridazine derivatives as inhibitors of angiotensin converting enzyme J Chem Soc Perkin Trans I 23 155 162
    • (1984) J Chem Soc Perkin Trans i , vol.23 , pp. 155-162
    • Hassell, C.H.1
  • 38
    • 0027232379 scopus 로고
    • Amino acids characterization by GRID and multivariate data analysis
    • M. Cocchi E. Johansson 1993 Amino acids characterization by GRID and multivariate data analysis Quant Struct Act Relat 12 1 8
    • (1993) Quant Struct Act Relat , vol.12 , pp. 1-8
    • Cocchi, M.1    Johansson, E.2
  • 39
    • 4444234911 scopus 로고    scopus 로고
    • On structural parameterization and molecular modeling of peptide analogues by molecular electronegativity-edge vector (VMEE): Estimation and prediction for biological activity of pentapeptides
    • S. Z. Li B. H. Fu Y. Q. Wang 2001 On structural parameterization and molecular modeling of peptide analogues by molecular electronegativity-edge vector (VMEE): Estimation and prediction for biological activity of pentapeptides J Chin Chem Soc 48 937 944
    • (2001) J Chin Chem Soc , vol.48 , pp. 937-944
    • Li, S.Z.1    Fu, B.H.2    Wang, Y.Q.3
  • 40
    • 33748875433 scopus 로고    scopus 로고
    • A new descriptor of amino acids based on the three-dimensional vector of atomic interaction field
    • 1
    • P. Zhou Y. Zhou S. R. Wu F. F. Tian Z. L. Li 2006 A new descriptor of amino acids based on the three-dimensional vector of atomic interaction field Chin Sci Bull 51 1 34 39
    • (2006) Chin Sci Bull , vol.51 , pp. 34-39
    • Zhou, P.1    Zhou, Y.2    Wu, S.R.3    Tian, F.F.4    Li, Z.L.5
  • 41
    • 33144455184 scopus 로고    scopus 로고
    • A new descriptor of amino acids and its application in peptide QSARs
    • H. Mei Y. Zhou S. Z. Li 2005 A new descriptor of amino acids and its application in peptide QSARs Peptide Science 80 775 786
    • (2005) Peptide Science , vol.80 , pp. 775-786
    • Mei, H.1    Zhou, Y.2    Li, S.Z.3
  • 42
    • 4444282957 scopus 로고    scopus 로고
    • A New descriptor of amino acids and its application in peptide QSAR
    • 8
    • H. Mei Y. Zhou L. L. Sun Z. L. Li 2004 A New descriptor of amino acids and its application in peptide QSAR Acta Phys Chim Sinica (in Chinese) 20 8 821 825
    • (2004) Acta Phys Chim Sinica (In Chinese) , vol.20 , pp. 821-825
    • Mei, H.1    Zhou, Y.2    Sun, L.L.3    Li, Z.L.4
  • 43
    • 0022655272 scopus 로고
    • Animal models of emphysema
    • G. L. Snider 1986 Animal models of emphysema Am Rew Respit Dis 133 149 150
    • (1986) Am Rew Respit Dis , vol.133 , pp. 149-150
    • Snider, G.L.1
  • 45
    • 0030094196 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships of the synthetic substrates for elastase enzyme using nonlinear partial least squares regression
    • T. Kimura Y. Miyashita K. Funatsu 1996 Quantitative structure-activity relationships of the synthetic substrates for elastase enzyme using nonlinear partial least squares regression J Chem Inf Comput Sci 36 185 189
    • (1996) J Chem Inf Comput Sci , vol.36 , pp. 185-189
    • Kimura, T.1    Miyashita, Y.2    Funatsu, K.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.