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Volumn 38, Issue 6, 1995, Pages 890-897

Three-Dimensional Quantitative Structure-Activity Relationship (QSAR) of HIV Integrase Inhibitors: A Comparative Molecular Field Analysis (CoMFA) Study

Author keywords

[No Author keywords available]

Indexed keywords

AVICULARINE; BAICALEIN; FISETIN; FLAVONE DERIVATIVE; GOSSYPINE; KAEMPFEROL; LUTEOLIN; MORIN; MYRICETIN; QUERCETAGETIN; QUERCETIN; RHAMNETIN; ROBINETIN; UNCLASSIFIED DRUG; VIRUS ENZYME;

EID: 0028924311     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm00006a006     Document Type: Article
Times cited : (95)

References (31)
  • 3
    • 0025133394 scopus 로고
    • Retroviral DNA Integration Directed by HIV Integration Protein in vitro
    • Bushman, F. D.; Fujiwara, T.; Craigie, R. Retroviral DNA Integration Directed by HIV Integration Protein in vitro. Science 1990, 249, 1555-1558.
    • (1990) Science , vol.249 , pp. 1555-1558
    • Bushman, F.D.1    Fujiwara, T.2    Craigie, R.3
  • 5
    • 0002915381 scopus 로고
    • Retroviruses
    • Berg, D., Howe, M., Eds.; Am. Soc. Microbiol.: Washington, DC
    • Varmus, H.; Brown, P. Retroviruses. In Mobile DNA; Berg, D., Howe, M., Eds.; Am. Soc. Microbiol.: Washington, DC, 1989; pp 53-108.
    • (1989) Mobile DNA , pp. 53-108
    • Varmus, H.1    Brown, P.2
  • 6
    • 0027102597 scopus 로고
    • Genetic of Retroviral Integration
    • Goff, S. P. Genetic of Retroviral Integration. Annu. Rev. Genet. 1992, 26, 527-544.
    • (1992) Annu. Rev. Genet. , vol.26 , pp. 527-544
    • Goff, S.P.1
  • 8
    • 0023751431 scopus 로고
    • Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins
    • Cramer, R. D., III; 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
  • 9
    • 0023677388 scopus 로고
    • Three-dimensional Structure- Activity Relationships
    • Marshall, G. R.; Cramer, R. D., III. Three-dimensional Structure- Activity Relationships. TIPS Rev. 1988, 9, 285-289.
    • (1988) TIPS Rev. , vol.9 , pp. 285-289
    • Marshall, G.R.1    Cramer, R.D.2
  • 10
    • 84987100711 scopus 로고
    • Crossvalidation, Boostrapping, and Partial Least Squares Com-pared with Multiple Regression in Conventional QSAR Studies
    • Cramer, R. D., III; Bunce, J. D.; Patterson, D. E.; Frank, I. E. Crossvalidation, Boostrapping, and Partial Least Squares Com-pared with Multiple Regression in Conventional QSAR Studies. Quant. Struct.-Act. Relat. 1988, 7, 18-25.
    • (1988) Quant. Struct.-Act. Relat. , vol.7 , pp. 18-25
    • Cramer, R.D.1    Bunce, J.D.2    Patterson, D.E.3    Frank, I.E.4
  • 12
    • 0026935503 scopus 로고
    • QSAR of Conformationally Flexible Molecules: Comparative Molecular Field Analyses of Protein-tyrosine Kinase Inhibitors
    • Nicklaus, M. C.; Milne, G. W. A.; Burke, T. R., Jr. QSAR of Conformationally Flexible Molecules: Comparative Molecular Field Analyses of Protein-tyrosine Kinase Inhibitors. J. Comput.-Aided Mol. Des. 1992, 6, 487-504.
    • (1992) J. Comput.-Aided Mol. Des. , vol.6 , pp. 487-504
    • Nicklaus, M.C.1    Milne, G.W.A.2    Burke, T.R.3
  • 13
    • 0027183015 scopus 로고
    • 3D- QSAR of Angiotensin-converting Enzyme and Thermolysin Inhibitors: A Comparison of CoMFA Models Based on Deduced and Experimentally Determined Active Site Geometries
    • DePriest, S. A.; Mayer, D.; Naylor, C. B.; Marshall, G. R. 3D- QSAR of Angiotensin-converting Enzyme and Thermolysin Inhibitors: A Comparison of CoMFA Models Based on Deduced and Experimentally Determined Active Site Geometries. J. Am. Chem. Soc. 1993, 115, 5372-5384.
    • (1993) J. Am. Chem. Soc. , vol.115 , pp. 5372-5384
    • DePriest, S.A.1    Mayer, D.2    Naylor, C.B.3    Marshall, G.R.4
  • 14
    • 0026638019 scopus 로고
    • Comparative Molecular Field Analysis of Anticoccidial Triazines
    • McFarland, J. W. Comparative Molecular Field Analysis of Anticoccidial Triazines. J. Med. Chem. 1992, 35, 2543-2550.
    • (1992) J. Med. Chem. , vol.35 , pp. 2543-2550
    • McFarland, J.W.1
  • 15
    • 0027551285 scopus 로고
    • Nonlinear Dependence in Comparative Molecular Field Analysis
    • Kim, K. H. Nonlinear Dependence in Comparative Molecular Field Analysis. J. Comput.-Aided Mol. Des. 1993, 7, 71-82.
    • (1993) J. Comput.-Aided Mol. Des. , vol.7 , pp. 71-82
    • Kim, K.H.1
  • 16
    • 0027551098 scopus 로고
    • CoMFA Validation of the Superposition of six Classes of Compounds Which Block GABA Receptors Non-competitively
    • Calder, J. A.; Wyatt, J. A.; Frenkel, D. A.; Casida, J. E. CoMFA Validation of the Superposition of six Classes of Compounds Which Block GABA Receptors Non-competitively. J. Comput.- Aided Mol. Des. 1993, 7, 45-60.
    • (1993) J. Comput.- Aided Mol. Des. , vol.7 , pp. 45-60
    • Calder, J.A.1    Wyatt, J.A.2    Frenkel, D.A.3    Casida, J.E.4
  • 17
    • 0027032097 scopus 로고
    • A Comparison of Progestin and Androgen Receptor Binding Using the CoMFA Technique
    • Loughney, D. A.; Schwender, C. F. A Comparison of Progestin and Androgen Receptor Binding Using the CoMFA Technique. J. Comput.-Aided Mol. Des. 1992, 6, 569-581.
    • (1992) J. Comput.-Aided Mol. Des. , vol.6 , pp. 569-581
    • Loughney, D.A.1    Schwender, C.F.2
  • 18
    • 0027026407 scopus 로고
    • Comparative Molecular Field Analysis of CCK-A Antagonists using Field-fit as an Alignment Techniques. A Convenient Guide to Design new CCK-A Ligands. J
    • Rault, S.; Bureau, R.; Pilo, J. C.; Robba, M. Comparative Molecular Field Analysis of CCK-A Antagonists using Field-fit as an Alignment Techniques. A Convenient Guide to Design new CCK-A Ligands. J. Comput.-Aided Mol. Des. 1992, 6, 553-568.
    • (1992) Comput.-Aided Mol. Des. , vol.6 , pp. 553-568
    • Rault, S.1    Bureau, R.2    Pilo, J.C.3    Robba, M.4
  • 19
    • 0027522683 scopus 로고
    • Alkylamides as Inducers of Human Leukemia Cell Differentiation: A Quantitative Structure-Activity Relationship Study Using Comparative Molecular Field Analysis
    • Harpalani, A. D.; Snyder, S. W.; Subramanyam, B.; Egorin, M. J.; Callery, P. S. Alkylamides as Inducers of Human Leukemia Cell Differentiation: A Quantitative Structure-Activity Relationship Study Using Comparative Molecular Field Analysis. Cancer Res. 1993, 53, 766-771.
    • (1993) Cancer Res. , vol.53 , pp. 766-771
    • Harpalani, A.D.1    Snyder, S.W.2    Subramanyam, B.3    Egorin, M.J.4    Callery, P.S.5
  • 20
    • 0027397374 scopus 로고
    • On the Prediction of Binding Properties of Drug Molecules by Comparative Molecular Field Analysis
    • Klebe, G.; Abraham, U. On the Prediction of Binding Properties of Drug Molecules by Comparative Molecular Field Analysis. J. Med. Chem. 1993, 36, 70-80.
    • (1993) J. Med. Chem. , vol.36 , pp. 70-80
    • Klebe, G.1    Abraham, U.2
  • 21
    • 0027463350 scopus 로고
    • Structural Analysis by the Comparative Molecular Field Analysis Method of the Affinity of Beta-adrenoreceptor Blocking Agents for 5-HT1A and 5-HT1B Receptors
    • Langlois, M.; Bremont, B.; Rousselle, D.; Gaudy, F. Structural Analysis by the Comparative Molecular Field Analysis Method of the Affinity of Beta-adrenoreceptor Blocking Agents for 5-HT1A and 5-HT1B Receptors. Eur. J. Pharmacol. 1993, 244, 77-87.
    • (1993) Eur. J. Pharmacol. , vol.244 , pp. 77-87
    • Langlois, M.1    Bremont, B.2    Rousselle, D.3    Gaudy, F.4
  • 22
    • 0026705133 scopus 로고
    • Comparative Molecular Field Analysis of Polyhalogenated Dibenzo-p-dioxins, Dibenzofurans, and Biphenyls
    • Waller, C. L.; McKinney, J. D. Comparative Molecular Field Analysis of Polyhalogenated Dibenzo-p-dioxins, Dibenzofurans, and Biphenyls. J. Med. Chem. 1992, 35, 3660-3666.
    • (1992) J. Med. Chem. , vol.35 , pp. 3660-3666
    • Waller, C.L.1    McKinney, J.D.2
  • 23
    • 0026638019 scopus 로고
    • Comparative Molecular Field Analysis of Anticoccidial Triazines. J
    • McFarland, J. W. Comparative Molecular Field Analysis of Anticoccidial Triazines. J. Med. Chem. 1992, 35, 2543-2550.
    • (1992) Med. Chem. , vol.35 , pp. 2543-2550
    • McFarland, J.W.1
  • 24
    • 0026292147 scopus 로고
    • HINT: A new Method of Empirical Hydrophobic Calculation for CoMFA
    • Kellogg, G. E.; Semus, S. F.; Abraham, D. J. HINT: A new Method of Empirical Hydrophobic Calculation for CoMFA. J. Comput. Aided Mol. Des. 1991, 5, 545-552.
    • (1991) J. Comput. Aided Mol. Des. , vol.5 , pp. 545-552
    • Kellogg, G.E.1    Semus, S.F.2    Abraham, D.J.3
  • 25
    • 0026572175 scopus 로고
    • CoMFA Analysis of the Interactions of Antipicomavirus Compounds in the Binding Pocket of Human Rhinovirus-14
    • Diana, G. D.; Kowalczyk, P.; Tresaurywala, A. M.; Oglesby, R. C.; Peaver, D. C.; Dutko, F. J. CoMFA Analysis of the Interactions of Antipicomavirus Compounds in the Binding Pocket of Human Rhinovirus-14. J. Med. Chem. 1992, 35, 1002-1008.
    • (1992) J. Med. Chem. , vol.35 , pp. 1002-1008
    • Diana, G.D.1    Kowalczyk, P.2    Tresaurywala, A.M.3    Oglesby, R.C.4    Peaver, D.C.5    Dutko, F.J.6
  • 26
    • 0026009418 scopus 로고
    • Synthesis, Ligand Binding, QSAR, and CoMFA Study of 3 Beta (p-substituted phenyl) tropane-2 Beta-Carboxylic Acid Methyl Esters
    • Carroll, F. I.; Gao, Y. G.; Rahman, M. A.; Abraham, P.; Parham, K.; Lewin, A. H.; Boja, J. W.; Kuhar, M. J. Synthesis, Ligand Binding, QSAR, and CoMFA Study of 3 Beta (p-substituted phenyl) tropane-2 Beta-Carboxylic Acid Methyl Esters. J. Med. Chem. 1991, 34, 2719-2725.
    • (1991) J. Med. Chem. , vol.34 , pp. 2719-2725
    • Carroll, F.I.1    Gao, Y.G.2    Rahman, M.A.3    Abraham, P.4    Parham, K.5    Lewin, A.H.6    Boja, J.W.7    Kuhar, M.J.8
  • 27
    • 0025816211 scopus 로고
    • Direct Prediction of Dissociation Constants (pKa’s) of Clonidine-like ImidaZolines, 2-substituted Imidazoles, and l-methyl-2-substituted-imidazoles from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA)
    • Kim, K. H.; Martin, Y. C. Direct Prediction of Dissociation Constants (pKa’s) of Clonidine-like ImidaZolines, 2-substituted Imidazoles, and l-methyl-2-substituted-imidazoles from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA). J. Med. Chem. 1991, 34, 2056-2060.
    • (1991) J. Med. Chem. , vol.34 , pp. 2056-2060
    • Kim, K.H.1    Martin, Y.C.2
  • 30
    • 85022807534 scopus 로고    scopus 로고
    • Application of the Electrotopological State Index to QSAR Analysis of Flavone Derivatives as HIV-1 Integrase inhibitors
    • In review at
    • Buolamwini, J. K.; et al. Application of the Electrotopological State Index to QSAR Analysis of Flavone Derivatives as HIV-1 Integrase inhibitors. In review at Pharm. Res.
    • Pharm. Res.
    • Buolamwini, J.K.1
  • 31
    • 0026512708 scopus 로고
    • Atom Description in QSAR Models: Development and use of an Atom Level Index
    • Kier, L. B.; Hall, L. H. Atom Description in QSAR Models: Development and use of an Atom Level Index. Adv. Drug Res. 1992, 22, 1-38.
    • (1992) Adv. Drug Res. , vol.22 , pp. 1-38
    • Kier, L.B.1    Hall, L.H.2


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