메뉴 건너뛰기




Volumn 51, Issue 5, 2006, Pages 524-529

A new descriptor of amino acids based on the three-dimensional vector of atomic interaction field

Author keywords

Principal component scores of structural information for amino acids (SSIA); Quantitative structure activity relationship quantitative sequence activity model; Quantum chemistry; Three dimensional vector of atomic interaction field (3D VAIF)

Indexed keywords


EID: 33748875433     PISSN: 10016538     EISSN: 18619541     Source Type: Journal    
DOI: 10.1007/s11434-006-0524-7     Document Type: Article
Times cited : (22)

References (33)
  • 1
    • 0027298171 scopus 로고
    • Quantitative sequence-activity models (QSAM) - Tools for sequence design
    • Jonsson, J., Norberg, T., Carlsson, L. et al., Quantitative sequence-activity models (QSAM) - tools for sequence design, Nucleic Acids Res., 1993, 20: 733-739.
    • (1993) Nucleic Acids Res. , vol.20 , pp. 733-739
    • Jonsson, J.1    Norberg, T.2    Carlsson, L.3
  • 2
    • 0013965569 scopus 로고
    • Relations between chemical structure and biological activity in peptides
    • Sneath, P. H., Relations between chemical structure and biological activity in peptides, J. Theor. Biol., 1966, 12: 157-195.
    • (1966) J. Theor. Biol. , vol.12 , pp. 157-195
    • Sneath, P.H.1
  • 3
    • 0021931978 scopus 로고
    • A statistical analysis of the physical properties of the 20 naturally occuring amino acids
    • Kidera, A., Konishi, Y., Oka, M. et al., A statistical analysis of the physical properties of the 20 naturally occuring amino acids, J. Protein Chem, 1985, 4: 23-55.
    • (1985) J. Protein Chem , vol.4 , pp. 23-55
    • Kidera, A.1    Konishi, Y.2    Oka, M.3
  • 4
    • 0022636036 scopus 로고
    • The prediction of Bradykinin Potentiating Pentapeptide potency of pentapeptides. An example of a peptide quantitative structure-activity relationship
    • Hellberg, S., Sjostrom, M., Wold, S., The prediction of Bradykinin Potentiating Pentapeptide potency of pentapeptides. An example of a peptide quantitative structure-activity relationship, Acta Chem. Scand, 1986, 40: 135-140.
    • (1986) Acta Chem. Scand , vol.40 , pp. 135-140
    • Hellberg, S.1    Sjostrom, M.2    Wold, S.3
  • 5
    • 0023192524 scopus 로고
    • Peptide quantitative structure-activity relationships, a multivariate approach
    • Hellberg, S., Sjostrom, M., Skagerberg, B. et al., Peptide quantitative structure-activity relationships, a multivariate approach, J. Med. Chem., 1987, 30: 1126-1135.
    • (1987) J. Med. Chem. , vol.30 , pp. 1126-1135
    • Hellberg, S.1    Sjostrom, M.2    Skagerberg, B.3
  • 6
    • 0023232669 scopus 로고
    • Principal property values for six non-coded amino acids and their application to a structure-activity relationship for oxytocin peptide analogues
    • Wold, S., Eriksson, L., Hellberg, S. et al., Principal property values for six non-coded amino acids and their application to a structure-activity relationship for oxytocin peptide analogues, Can. J. Chem., 1987, 65: 1814-1820.
    • (1987) Can. J. Chem. , vol.65 , pp. 1814-1820
    • Wold, S.1    Eriksson, L.2    Hellberg, S.3
  • 7
    • 0025811052 scopus 로고
    • Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships
    • Hellberg, S., Eriksson, L., Jonsson, J. et al., Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships, Int. J. Pept. Protein Res, 1991, 37: 414-424.
    • (1991) Int. J. Pept. Protein Res , vol.37 , pp. 414-424
    • Hellberg, S.1    Eriksson, L.2    Jonsson, J.3
  • 8
    • 0024425633 scopus 로고
    • Multivariate parameterization of 55 coded and non-coded amino acids
    • Jonsson, J., Eriksson, L., Hellberg, S. et al., Multivariate parameterization of 55 coded and non-coded amino acids, Quant. Strut. Act. Relat, 1989, 8: 204-209.
    • (1989) Quant. Strut. Act. Relat , vol.8 , pp. 204-209
    • Jonsson, J.1    Eriksson, L.2    Hellberg, S.3
  • 9
    • 0032474777 scopus 로고    scopus 로고
    • New chemical descriptors for the design of biologically active peptides. A multivariatc charaterrization of 87 amino acids
    • Sandberg, M., Eriksson, L., Jonsson, J. et al., New chemical descriptors for the design of biologically active peptides. A multivariatc charaterrization of 87 amino acids, J. Med. Chem., 1998, 41: 2481-2491.
    • (1998) J. Med. Chem. , vol.41 , pp. 2481-2491
    • Sandberg, M.1    Eriksson, L.2    Jonsson, J.3
  • 10
    • 0029031962 scopus 로고
    • Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues
    • Collantes, E. R., Dunn, W. J., Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues, J. Med. Chem., 1995, 38: 2705-2713.
    • (1995) J. Med. Chem. , vol.38 , pp. 2705-2713
    • Collantes, E.R.1    Dunn, W.J.2
  • 11
    • 4444340522 scopus 로고    scopus 로고
    • A novel MHDV descriptor for dipeptide QSAR studies
    • Liu, S. S., Cai, S. X., Li, Z. et al., A novel MHDV descriptor for dipeptide QSAR studies, J. Chin. Chem. Soc, 2001, 48: 253-260.
    • (2001) J. Chin. Chem. Soc , vol.48 , pp. 253-260
    • Liu, S.S.1    Cai, S.X.2    Li, Z.3
  • 12
    • 0000610485 scopus 로고    scopus 로고
    • MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies
    • Zaliani, A., Gancia, E., MS-WHIM scores for amino acids: A new 3D-description for peptide QSAR and QSPR studies, J. Chem. Inf. Comput. Sci., 1999, 39: 525-533.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 525-533
    • Zaliani, A.1    Gancia, E.2
  • 13
    • 0033087210 scopus 로고    scopus 로고
    • Topological shape and size of peptides: Identification of potential allele specific helper T cell antigenic sites
    • Raychaudhury, C., Banerjee, A., Bag, P. et al., Topological shape and size of peptides: Identification of potential allele specific helper T cell antigenic sites, J. Chem. Inf. Comput. Sci., 1999, 39: 248-254.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 248-254
    • Raychaudhury, C.1    Banerjee, A.2    Bag, P.3
  • 14
    • 10044249049 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: A study of quantum chemical descriptors from density functional theory
    • Wan, J., Zhang, L., Yang, G. F. et al., Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: A study of quantum chemical descriptors from density functional theory, J. Chem. Inf. Comput. Sci., 2004, 44: 2099-2105.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 2099-2105
    • Wan, J.1    Zhang, L.2    Yang, G.F.3
  • 15
    • 8344289100 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: A density functional theory study
    • Wan, J., Zhang, L., Yang, G. F., Quantitative structure-activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: A density functional theory study, J. Comput. Chem., 2004, 25: 1827-1832.
    • (2004) J. Comput. Chem. , vol.25 , pp. 1827-1832
    • Wan, J.1    Zhang, L.2    Yang, G.F.3
  • 16
    • 11744325593 scopus 로고    scopus 로고
    • Approach to estimation and prediction for normal boiling point (NBP) of alkanes based on a novel molecular distance edge (MDE) vector λ
    • Liu, S. S., Cai, C. X., Li, Z., Approach to estimation and prediction for normal boiling point (NBP) of alkanes based on a novel molecular distance edge (MDE) vector λ, J. Chem. Inf. Comput. Sci., 1998, 38: 387-394.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 387-394
    • Liu, S.S.1    Cai, C.X.2    Li, Z.3
  • 17
    • 0000970724 scopus 로고    scopus 로고
    • Molecular electronega tive-distancc vector (MEDV) relating to 15 properties of alkanes
    • Liu, S. S., Cai, S. X., Li, Z. et al., Molecular electronega tive-distancc vector (MEDV) relating to 15 properties of alkanes, J. Chem. Inf. Coraput. Sci., 2000, 40: 1337-1348.
    • (2000) J. Chem. Inf. Coraput. Sci. , vol.40 , pp. 1337-1348
    • Liu, S.S.1    Cai, S.X.2    Li, Z.3
  • 18
    • 0035263421 scopus 로고    scopus 로고
    • QSAR study of steroid benchmark and dipeptides based on MEDV-13
    • Liu, S. S., Yin, C. S., Li, Z. et al., QSAR study of steroid benchmark and dipeptides based on MEDV-13, J. Chem. Inf. Comput. Sci., 2001, 41: 321-329.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 321-329
    • Liu, S.S.1    Yin, C.S.2    Li, Z.3
  • 19
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R. D., Patterson, D. E., Bunce, J. D., Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins, J. Am. Chem. Soc., 1988, 110: 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 20
    • 0021871375 scopus 로고
    • A computational procedure for determining energetically favorable binding sites on biologically important molecules
    • Goodford, P. J., A computational procedure for determining energetically favorable binding sites on biologically important molecules, J. Med. Chem., 1985, 28: 849-857.
    • (1985) J. Med. Chem. , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 21
    • 0001681052 scopus 로고
    • The collinearity problem in linear regression - The partial least squares (PLS) approach to generalized inverses
    • Wold, S., Ruhe, A., Wold, H. et al., The collinearity problem in linear regression - the partial least squares (PLS) approach to generalized inverses, Siam J. Sci. Statist. Comput., 1984, 5: 735-743.
    • (1984) Siam J. Sci. Statist. Comput. , vol.5 , pp. 735-743
    • Wold, S.1    Ruhe, A.2    Wold, H.3
  • 22
    • 0000626101 scopus 로고    scopus 로고
    • Link between orthogonal and standard multiple linear regression models
    • Šoškić, M., Link between orthogonal and standard multiple linear regression models, J. Chem. Inf. Comput. Sci., 1996, 36: 829-832
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 829-832
    • Šoškić, M.1
  • 23
    • 0028467707 scopus 로고
    • Application of genetic function approximation to Quantitative-structure Activity Relationships and Quantitative Structure-Property Relationships
    • Rogers, D., Hopfinger, A. J., Application of genetic function approximation to Quantitative-Structure Activity Relationships and Quantitative Structure-Property Relationships, J. Chem. Inf. Comput. Sci., 1994, 34: 854-866.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 854-866
    • Rogers, D.1    Hopfinger, A.J.2
  • 24
    • 0029230341 scopus 로고
    • Automated descriptor selection for Quantitative Structure-activity Relationships using generalized simulated annealing
    • Sutter, J. M., Dixon, S. L., Jurs, P. C., Automated descriptor selection for Quantitative Structure-Activity Relationships using generalized simulated annealing, J. Chem. Inf. Comput. Sci., 1995, 35: 77-84.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 77-84
    • Sutter, J.M.1    Dixon, S.L.2    Jurs, P.C.3
  • 25
    • 0027232379 scopus 로고
    • Amino acids characterization by GRID and multivariate data analysis
    • Cocchi, M., Johansson, E., Amino acids characterization by GRID and multivariate data analysis, Quant. Struct. Act. Relat, 1993, 12: 1-8.
    • (1993) Quant. Struct. Act. Relat , vol.12 , pp. 1-8
    • Cocchi, M.1    Johansson, E.2
  • 26
    • 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
    • Li, S.Z., Fu, B. H., Wang, Y. Q. et al., 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., 2001, 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
  • 27
    • 0018240719 scopus 로고
    • Structure-activity relationships of bradykinin potentiating pentapeptide peptides
    • Ufkes, J. G., Visser, R. J., Heuver, G. et al., Structure-activity relationships of bradykinin potentiating pentapeptide peptides, Eur. J. Pharmacol., 1978, 50: 119-122
    • (1978) Eur. J. Pharmacol. , vol.50 , pp. 119-122
    • Ufkes, J.G.1    Visser, R.J.2    Heuver, G.3
  • 28
    • 0020068060 scopus 로고
    • Further studies on the structure-activity relationships of bradykinin potentiating pentapeptide peptides
    • Ufkes, J. G., Visser, R. J., Heuver, G. et al., Further studies on the structure-activity relationships of bradykinin potentiating pentapeptide peptides, Eur. J. Pharmacol., 1982, 79: 155-158.
    • (1982) Eur. J. Pharmacol. , vol.79 , pp. 155-158
    • Ufkes, J.G.1    Visser, R.J.2    Heuver, G.3
  • 29
    • 0042130018 scopus 로고    scopus 로고
    • Evaluation of the hydrophobic parameters of the amino acid side chains of peptides and their application in QSAR and conformational studies
    • Niwa, T. S., Ogino, A., Evaluation of the hydrophobic parameters of the amino acid side chains of peptides and their application in QSAR and conformational studies, Theochem., 1997, 392: 43-54.
    • (1997) Theochem. , vol.392 , pp. 43-54
    • Niwa, T.S.1    Ogino, A.2
  • 30
    • 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
    • Sung, J., Wei, F., Tropsha, A., 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., 1998, 38: 259-268.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 259-268
    • Sung, J.1    Wei, F.2    Tropsha, A.3
  • 31
    • 0345743662 scopus 로고    scopus 로고
    • Theoretical study on hydrophobicity of amino acids by the solvation free energy density model
    • Kim, J., Nam, K. Y., Cho, K. H. et al., Theoretical study on hydrophobicity of amino acids by the solvation free energy density model, Bull. Korean Chem. Soc., 2003, 24(12): 1742-1750.
    • (2003) Bull. Korean Chem. Soc. , vol.24 , Issue.12 , pp. 1742-1750
    • Kim, J.1    Nam, K.Y.2    Cho, K.H.3
  • 32
    • 0032563585 scopus 로고    scopus 로고
    • Preprocessing peptide sequences for multivariate sequence-property analysis
    • Andersson, P. M., Sjöstrom, M., Lundstedt, T., Preprocessing peptide sequences for multivariate sequence-property analysis, Chemom. Intell. Lab. Syst., 1998, 42: 41-50.
    • (1998) Chemom. Intell. Lab. Syst. , vol.42 , pp. 41-50
    • Andersson, P.M.1    Sjöstrom, M.2    Lundstedt, T.3
  • 33
    • 33144455184 scopus 로고    scopus 로고
    • A new set of amino acid descriptors and its application in peptide OSARs
    • Mei, H., Liao, Z., Zhou, Y. et al., A new set of amino acid descriptors and its application in peptide OSARs, Biopolym. Peptide Science, 2005, 80(6): 775-786.
    • (2005) Biopolym. Peptide Science , vol.80 , Issue.6 , pp. 775-786
    • Mei, H.1    Liao, Z.2    Zhou, Y.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.