메뉴 건너뛰기




Volumn 11, Issue 1, 2012, Pages 55-67

Computational modeling of substitution effect on HIV-1 non-nucleoside reverse transcriptase inhibitors with Kier- Hall electrotopological state (E-state) indices

Author keywords

Kier Hall electrotopological state indices; Multiple linear regression; Non nucleoside reverse transcriptase inhibitors; QSAR; Quantitative structure activity relationships

Indexed keywords

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 84860898488     PISSN: None     EISSN: 15386414     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (1)

References (42)
  • 1
    • 0025895769 scopus 로고
    • Molecular biology of the human immunodeficiency virus type 1
    • W. A. Haseltine, Molecular biology of the human immunodeficiency virus type 1, FASEB J. 1991, 5, 2349-2360.
    • (1991) FASEB J. , vol.5 , pp. 2349-2360
    • Haseltine, W.A.1
  • 2
    • 0023852121 scopus 로고
    • The human immunodeficiency virus: Infectivity and mechanisms of pathogenesis
    • A. S. Fauci, The human immunodeficiency virus: infectivity and mechanisms of pathogenesis, Science, 1988, 239, 617-622.
    • (1988) Science , vol.239 , pp. 617-622
    • Fauci, A.S.1
  • 4
    • 0026510316 scopus 로고
    • Detection of human immunodeficiency virus type 1 provirus in mononuclear cells by in situ polymerase chain reaction
    • O. Bagasra, S. P. Hauptman, H. W. Lischner, M. Sachs, R. J. Pomerantz, Detection of human immunodeficiency virus type 1 provirus in mononuclear cells by in situ polymerase chain reaction, N. Engl. J. Med. 1992, 326, 1385-1391.
    • (1992) N. Engl. J. Med. , vol.326 , pp. 1385-1391
    • Bagasra, O.1    Hauptman, S.P.2    Lischner, H.W.3    Sachs, M.4    Pomerantz, R.J.5
  • 5
    • 0025800401 scopus 로고
    • Immunopathogenic mechanisms in human immunodeficiency virus (HIV) infection
    • A. S. Fauci, Immunopathogenic mechanisms in human immunodeficiency virus (HIV) infection, Ann. Intern. Med. 1991, 114, 678-693.
    • (1991) Ann. Intern. Med. , vol.114 , pp. 678-693
    • Fauci, A.S.1
  • 6
    • 0025238899 scopus 로고
    • Zidovudine in asymptomatic human immunodeficiency virus infection: A controlled trial in persons with fewer than 500 CD4-positive cells per cubic millimetre
    • P. A. Volberding, S. W. Lagakos, M. A. Koch, et al., Zidovudine in asymptomatic human immunodeficiency virus infection: a controlled trial in persons with fewer than 500 CD4-positive cells per cubic millimetre, N. Engl. J. Med. 1990, 322, 941-949.
    • (1990) N. Engl. J. Med. , vol.322 , pp. 941-949
    • Volberding, P.A.1    Lagakos, S.W.2    Koch, M.A.3
  • 7
    • 0026507775 scopus 로고
    • The effect of antiviral therapy on the natural history of human immunodeficiency virus infection in a cohort of hemophiliacs
    • M. V. Ragni, L. A. Kingsley, S. J. Zhou, The effect of antiviral therapy on the natural history of human immunodeficiency virus infection in a cohort of hemophiliacs, J. Acquir. Immune. Defic. Syndr. 1992, 5, 120-126.
    • (1992) J. Acquir. Immune. Defic. Syndr. , vol.5 , pp. 120-126
    • Ragni, M.V.1    Kingsley, L.A.2    Zhou, S.J.3
  • 8
    • 0025912401 scopus 로고
    • Effect of zidovudine and Pneumocystis carinii pneumonia prophylaxis on progression of HIV-1 infection to AIDS
    • N. M. H Graham, S. L Zeger, L. P. Park, et al., Effect of zidovudine and Pneumocystis carinii pneumonia prophylaxis on progression of HIV-1 infection to AIDS, Lancet 1991, 338, 265-269.
    • (1991) Lancet , vol.338 , pp. 265-269
    • Graham, N.M.H.1    Zeger, S.L.2    Park, L.P.3
  • 10
    • 0025980126 scopus 로고
    • Primary HIV infection: Host responses and intervention strategies
    • B. Tindall, D. A. Cooper, Primary HIV infection: host responses and intervention strategies, AIDS 1991, 5, 1-14.
    • (1991) AIDS , vol.5 , pp. 1-14
    • Tindall, B.1    Cooper, D.A.2
  • 11
    • 0029775166 scopus 로고    scopus 로고
    • What can be expected from non-nucleoside reverse transcriptase inhibitors in the treatment of human immunodeficiency virus type 1 infection?
    • E. De Clercq, What can be expected from non-nucleoside reverse transcriptase inhibitors in the treatment of human immunodeficiency virus type 1 infection? Rev. Med. Virol. 1996, 97-117.
    • (1996) Rev. Med. Virol. , pp. 97-117
    • de Clercq, E.1
  • 12
    • 0032918170 scopus 로고    scopus 로고
    • Perspectives of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection
    • E. De Clercq, Perspectives of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection, Farmaco 1999, 54, 26-45.
    • (1999) Farmaco , vol.54 , pp. 26-45
    • de Clercq, E.1
  • 15
    • 33644683832 scopus 로고    scopus 로고
    • Effects of Efavirenz Binding on the Subunit Equilibria of HIV-1 Reverse Transcriptase
    • C. F. Venezia, K. J. Howard, M. E. Ignatov, L. A. Holladay, M. D. Barkley, Effects of Efavirenz Binding on the Subunit Equilibria of HIV-1 Reverse Transcriptase, Biochemistry 2006, 45, 2779-2789.
    • (2006) Biochemistry , vol.45 , pp. 2779-2789
    • Venezia, C.F.1    Howard, K.J.2    Ignatov, M.E.3    Holladay, L.A.4    Barkley, M.D.5
  • 17
    • 0026606044 scopus 로고
    • 2',5'-Bis-O-(tert-butyldimethylsilyl)-3'-spiro-5''-(4''-amino-1'',2"-oxathiole-2'',2'-dioxide) pyrimidine (TSAO) nucleoside analogues: Highly selective inhibitors of human immunodeficiency virus type 1 that targeted at the viral reverse transcriptase
    • J. Balzarini, M. J. Pérez-Pérez, A. San-Felix, D. C. F. Schols, Perno, A. Vandamme, M. J. Camarasa, E. De Clercq, 2',5'-Bis-O-(tert-butyldimethylsilyl)-3'-spiro-5''-(4''-amino-1'',2"-oxathiole-2'',2'-dioxide) pyrimidine (TSAO) nucleoside analogues: highly selective inhibitors of human immunodeficiency virus type 1 that targeted at the viral reverse transcriptase, Proc. Natl. Acad. Sci. USA 1992, 89, 4392-4396.
    • (1992) Proc. Natl. Acad. Sci. USA , vol.89 , pp. 4392-4396
    • Balzarini, J.1    Pérez-Pérez, M.J.2    San-Felix, A.3    Schols, D.C.F.4    Perno5    Vandamme, A.6    Camarasa, M.J.7    de Clercq, E.8
  • 23
    • 0030887575 scopus 로고    scopus 로고
    • A check on rational drug design: Molecular simulation of the allosteric inhibition of HIV-1 reverse transcriptase
    • P. P. Mager, A check on rational drug design: Molecular simulation of the allosteric inhibition of HIV-1 reverse transcriptase, Med. Res. Rev. 1997, 17, 235-276.
    • (1997) Med. Res. Rev. , vol.17 , pp. 235-276
    • Mager, P.P.1
  • 24
    • 0029977510 scopus 로고    scopus 로고
    • Targeting HIV reverse transcriptase for anti-AIDS drug design: Structural and biological considerations for chemotherapeutic strategies
    • E. Arnold, K. Das, J. Ding, P.N. Yadav, Y. Hsiou, P.L. Boyer, S. H. Hughes, Targeting HIV reverse transcriptase for anti-AIDS drug design: structural and biological considerations for chemotherapeutic strategies, Drug. Des. Discov. 1996, 13, 29-47.
    • (1996) Drug. Des. Discov. , vol.13 , pp. 29-47
    • Arnold, E.1    Das, K.2    Ding, J.3    Yadav, P.N.4    Hsiou, Y.5    Boyer, P.L.6    Hughes, S.H.7
  • 25
    • 0034059835 scopus 로고    scopus 로고
    • The HIV-1 reverse transcription (RT) process as target for RT inhibitors
    • H. Jonckheere, J. Anne, E. De Clercq, The HIV-1 reverse transcription (RT) process as target for RT inhibitors, Med. Res. Rev. 2000, 20, 129-154.
    • (2000) Med. Res. Rev. , vol.20 , pp. 129-154
    • Jonckheere, H.1    Anne, J.2    de Clercq, E.3
  • 26
    • 0026318387 scopus 로고
    • Human Immunodeficiency Virus Type 1 Mutants Resistant to Nonnucleoside Inhibitors of Reverse Transcriptase arises in Tissue Culture
    • D. Richman, C. K. Shih, I. Lowy, J. Rose, P. Prodanovich, S. Goff, and Griffin, Human Immunodeficiency Virus Type 1 Mutants Resistant to Nonnucleoside Inhibitors of Reverse Transcriptase arises in Tissue Culture, Proc. Natl. Acad. Sci. USA 1991, 88, 11241-11245.
    • (1991) Proc. Natl. Acad. Sci. USA , vol.88 , pp. 11241-11245
    • Richman, D.1    Shih, C.K.2    Lowy, I.3    Rose, J.4    Prodanovich, P.5    Goff, S.6    Griffin7
  • 27
    • 0035821597 scopus 로고    scopus 로고
    • 2-Amino-6-arylsulfonylbenzonitriles as Non-nucleoside Reverse Transcriptase Inhibitors of HIV-1
    • H. Chan. Joseph, 2-Amino-6-arylsulfonylbenzonitriles as Non-nucleoside Reverse Transcriptase Inhibitors of HIV-1, J. Med. Chem. 2001, 44, 1866-1882.
    • (2001) J. Med. Chem. , vol.44 , pp. 1866-1882
    • Chan, H.J.1
  • 29
    • 84913723369 scopus 로고
    • Molecular Shape as a Critical Factor in Structure-Property-Activity Studies
    • M. Randic, P. G. Seybold, Molecular Shape as a Critical Factor in Structure-Property-Activity Studies, SAR QSAR Environ. Res. 1993, 1, 77-85.
    • (1993) SAR QSAR Environ. Res. , vol.1 , pp. 77-85
    • Randic, M.1    Seybold, P.G.2
  • 30
    • 0002225001 scopus 로고
    • In Search of Structural Invariants
    • M. Randić, In Search of Structural Invariants, J. Math. Chem. 1992, 9, 97-146.
    • (1992) J. Math. Chem. , vol.9 , pp. 97-146
    • Randić, M.1
  • 32
    • 5344262585 scopus 로고
    • Molecular Structure-Property Relationships
    • P. G. Seybold, M. May, U. A. Bagal, Molecular Structure-Property Relationships, J. Chem. Educ. 1987, 64, 575-581.
    • (1987) J. Chem. Educ. , vol.64 , pp. 575-581
    • Seybold, P.G.1    May, M.2    Bagal, U.A.3
  • 34
    • 33751386067 scopus 로고
    • Design of molecules from quantitative structure-activity relationship models. III. Role of higher order path counts: Path Three
    • L. B. Kier, L. H. Hall, Design of molecules from quantitative structure-activity relationship models. III. Role of higher order path counts: Path Three, J. Chem. Inf. Comput. Sci. 1993, 33, 598-603.
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 598-603
    • Kier, L.B.1    Hall, L.H.2
  • 36
    • 0025977916 scopus 로고
    • The concept of structure in structure-activity relations by studies and drug design
    • B. Testa, L. B. Kier, The concept of structure in structure-activity relations by studies and drug design, Med. Res. Rev, 1991, 11, 35-48.
    • (1991) Med. Res. Rev , vol.11 , pp. 35-48
    • Testa, B.1    Kier, L.B.2
  • 37
    • 0027769667 scopus 로고
    • The generation of molecular structures for a graph based equations
    • L. B. Kier, L. H. Hall, The generation of molecular structures for a graph based equations, Quant. Struct.-Act. Relat. 1994, 12, 383-388.
    • (1994) Quant. Struct.-Act. Relat. , vol.12 , pp. 383-388
    • Kier, L.B.1    Hall, L.H.2
  • 38
    • 0042184608 scopus 로고    scopus 로고
    • Quantitative information analysis: The new center of gravity in medicinal chemistry
    • L. B. Kier, L. H. Hall, Quantitative information analysis: The new center of gravity in medicinal chemistry, Med. Chem. Res. 1997, 7,335-339.
    • (1997) Med. Chem. Res. , vol.7 , pp. 335-339
    • Kier, L.B.1    Hall, L.H.2
  • 39
    • 0000672441 scopus 로고
    • Design of molecules from quantitative structure-activity relationship models. I. Information transfer between path and vertex degree counts
    • L. B. Kier, L. H. Hall, J. W. Frazer, Design of molecules from quantitative structure-activity relationship models. I. Information transfer between path and vertex degree counts, J. Chem. Inf. Comput. Sci. 1993, 33, 143-147.
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 143-147
    • Kier, L.B.1    Hall, L.H.2    Frazer, J.W.3
  • 40
    • 0242677271 scopus 로고
    • A quantitative approach to biochemical structure-activity relationships
    • C. Hansch, A quantitative approach to biochemical structure-activity relationships, Acc. Chem. Res. 1969, 2, 232-239.
    • (1969) Acc. Chem. Res. , vol.2 , pp. 232-239
    • Hansch, C.1
  • 41
    • 84871397373 scopus 로고    scopus 로고
    • Sagata Regression ver. 1.0
    • Sagata Regression ver. 1.0, Sagata Regression ver. 1.0, http://www.sagata.com.
    • Sagata Regression ver. 1.0
  • 42
    • 84871375921 scopus 로고    scopus 로고
    • July
    • WinIDAMS 1.2, http://www.unesco.org/idams, July 2004.
    • (2004) WinIDAMS 1.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.