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Volumn 26, Issue 6, 2008, Pages 1020-1029

Predicting anti-HIV-1 activity of 6-arylbenzonitriles: Computational approach using superaugmented eccentric connectivity topochemical indices

Author keywords

6 Arylbenzonitriles; Anti HIV 1 activity; Structure activity relationship; Superaugmented eccentric connectivity topochemical index; Topochemical indices

Indexed keywords

BIOACTIVITY; DATA STRUCTURES; ISOMERS; MATHEMATICAL MODELS; OPTIMIZATION;

EID: 37349040711     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.08.008     Document Type: Article
Times cited : (88)

References (25)
  • 1
    • 0035159445 scopus 로고    scopus 로고
    • Recent advances on the role of topological indices in drug discovery research
    • Estrada E., and Uriarte E. Recent advances on the role of topological indices in drug discovery research. Curr. Med. Chem. 8 (2001) 1573-1588
    • (2001) Curr. Med. Chem. , vol.8 , pp. 1573-1588
    • Estrada, E.1    Uriarte, E.2
  • 2
    • 8544258061 scopus 로고    scopus 로고
    • Topological descriptors in drug design and modeling studies
    • Roy K. Topological descriptors in drug design and modeling studies. Mol. Diver. 8 (2004) 321-323
    • (2004) Mol. Diver. , vol.8 , pp. 321-323
    • Roy, K.1
  • 3
    • 0023202542 scopus 로고
    • Use of molecular complexity indices in predictive pharmacology and toxicology: a QSAR approach
    • Basak S.C. Use of molecular complexity indices in predictive pharmacology and toxicology: a QSAR approach. Med. Sci. Res. 15 (1987) 605-609
    • (1987) Med. Sci. Res. , vol.15 , pp. 605-609
    • Basak, S.C.1
  • 4
    • 0001362051 scopus 로고    scopus 로고
    • Extended Wiener indices. A new set of descriptors for quantitative structure-property studies
    • Estrada E., Ivanciuc O., Gutman I., Gutierrez A., and Rodriguez L. Extended Wiener indices. A new set of descriptors for quantitative structure-property studies. New J. Chem. 22 (1998) 819-822
    • (1998) New J. Chem. , vol.22 , pp. 819-822
    • Estrada, E.1    Ivanciuc, O.2    Gutman, I.3    Gutierrez, A.4    Rodriguez, L.5
  • 6
    • 0041559788 scopus 로고    scopus 로고
    • From molecular graphs to drugs. A review on the use of topological indices in drug design and discovery
    • Estrada E., Patlewicz G., and Uriarte E. From molecular graphs to drugs. A review on the use of topological indices in drug design and discovery. Indian J. Chem. 42A (2003) 1315-1329
    • (2003) Indian J. Chem. , vol.42 A , pp. 1315-1329
    • Estrada, E.1    Patlewicz, G.2    Uriarte, E.3
  • 7
    • 0000113278 scopus 로고    scopus 로고
    • Use of topostructural, topochemical, and geometric parameters in the prediction of vapor pressure: a hierarchical QSAR approach
    • Basak S.C., Gute B.D., and Grunwald G.D. Use of topostructural, topochemical, and geometric parameters in the prediction of vapor pressure: a hierarchical QSAR approach. J. Chem. Inf. Comput. Sci. 37 (1997) 651-655
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 651-655
    • Basak, S.C.1    Gute, B.D.2    Grunwald, G.D.3
  • 8
    • 10644257975 scopus 로고    scopus 로고
    • The HIV-1 nucleocapsid zinc finger protein as a target of antiretroviral therapy
    • Musah R.A. The HIV-1 nucleocapsid zinc finger protein as a target of antiretroviral therapy. Curr. Med. Chem. 4 (2004) 1605-1622
    • (2004) Curr. Med. Chem. , vol.4 , pp. 1605-1622
    • Musah, R.A.1
  • 9
    • 0022552064 scopus 로고
    • Chemotherapeutic approaches to the treatment of the acquired immune deficiency syndrome (AIDS)
    • De Clercq E. Chemotherapeutic approaches to the treatment of the acquired immune deficiency syndrome (AIDS). J. Med. Chem. 29 (1986) 1561-1569
    • (1986) J. Med. Chem. , vol.29 , pp. 1561-1569
    • De Clercq, E.1
  • 10
    • 0001707601 scopus 로고
    • 3′-Azido-3′-deoxythymidine (BW A509U): an antiviral agent that inhibits the infectivity and cytopathic effect of human T-lymphotropic virus type III/lymphadenopathy-associated virus in vitro
    • Mitsuya H., Weinhold K.J., Furman P.A., St Clair M.H., Lehrman S.N., Gallo R.C., Bolognesi D., Barry D.W., and Broder S. 3′-Azido-3′-deoxythymidine (BW A509U): an antiviral agent that inhibits the infectivity and cytopathic effect of human T-lymphotropic virus type III/lymphadenopathy-associated virus in vitro. Proc. Natl. Acad. Sci. U.S.A. 82 (1985) 7096-7100
    • (1985) Proc. Natl. Acad. Sci. U.S.A. , vol.82 , pp. 7096-7100
    • Mitsuya, H.1    Weinhold, K.J.2    Furman, P.A.3    St Clair, M.H.4    Lehrman, S.N.5    Gallo, R.C.6    Bolognesi, D.7    Barry, D.W.8    Broder, S.9
  • 11
    • 0023091963 scopus 로고
    • Strategies for antiviral therapy in AIDS
    • Mitsuya H., and Broder S. Strategies for antiviral therapy in AIDS. Nature 325 (1987) 773-778
    • (1987) Nature , vol.325 , pp. 773-778
    • Mitsuya, H.1    Broder, S.2
  • 14
    • 0024310253 scopus 로고
    • Multiple mutations in HIV-1 reverse transcriptase confer high-level resistance to Zidovudine (AZT)
    • Larder B.A., and Kemp S.D. Multiple mutations in HIV-1 reverse transcriptase confer high-level resistance to Zidovudine (AZT). Science 246 (1989) 1155-1158
    • (1989) Science , vol.246 , pp. 1155-1158
    • Larder, B.A.1    Kemp, S.D.2
  • 15
    • 27844455955 scopus 로고    scopus 로고
    • Acyclic nucleoside phosphonates: a key class of antiviral drugs
    • De Clercq E., and Holy A. Acyclic nucleoside phosphonates: a key class of antiviral drugs. Nat. Rev. Drug Discov. 4 (2005) 928-940
    • (2005) Nat. Rev. Drug Discov. , vol.4 , pp. 928-940
    • De Clercq, E.1    Holy, A.2
  • 16
    • 0033552881 scopus 로고    scopus 로고
    • Synthesis and biological properties of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents that target the viral nucleocapsid protein zinc fingers
    • Turpin J.A., Song Y., Inman J.K., Huang M., Wallqvist A., Maynard A., Covell D.G., Rice W.G., and Appella E. Synthesis and biological properties of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents that target the viral nucleocapsid protein zinc fingers. J. Med. Chem. 42 (1999) 67-86
    • (1999) J. Med. Chem. , vol.42 , pp. 67-86
    • Turpin, J.A.1    Song, Y.2    Inman, J.K.3    Huang, M.4    Wallqvist, A.5    Maynard, A.6    Covell, D.G.7    Rice, W.G.8    Appella, E.9
  • 17
    • 0033927489 scopus 로고    scopus 로고
    • Novel compounds in preclinical/early clinical development for the treatment of HIV infections
    • De Clercq E. Novel compounds in preclinical/early clinical development for the treatment of HIV infections. Rev. Med. Virol. 10 (2000) 255-277
    • (2000) Rev. Med. Virol. , vol.10 , pp. 255-277
    • De Clercq, E.1
  • 18
    • 0034304841 scopus 로고    scopus 로고
    • New targets for inhibitors of HIV-1 replication
    • Moore J.P., and Stevenson M. New targets for inhibitors of HIV-1 replication. Natl. Rev. Mol. Cell. Biol. 1 (2000) 40-49
    • (2000) Natl. Rev. Mol. Cell. Biol. , vol.1 , pp. 40-49
    • Moore, J.P.1    Stevenson, M.2
  • 20
    • 0034798063 scopus 로고    scopus 로고
    • Predicting anti-HIV activity: computational approach using novel topological descriptor
    • Gupta S., Singh M., and Madan A.K. Predicting anti-HIV activity: computational approach using novel topological descriptor. J. Comput. Aid. Mol. Des. 15 (2000) 671-678
    • (2000) J. Comput. Aid. Mol. Des. , vol.15 , pp. 671-678
    • Gupta, S.1    Singh, M.2    Madan, A.K.3
  • 22
    • 0035986794 scopus 로고    scopus 로고
    • Application of topological descriptors in QSAR and drug design: history and new trends
    • Gozalbes R., Doucet J., and Derouin F. Application of topological descriptors in QSAR and drug design: history and new trends. Curr. Drug Targets Infect. Disord. 2 (2002) 93-102
    • (2002) Curr. Drug Targets Infect. Disord. , vol.2 , pp. 93-102
    • Gozalbes, R.1    Doucet, J.2    Derouin, F.3
  • 23
    • 33751392302 scopus 로고
    • Using real numbers as vertex invariants for third-generation topological indexes
    • Balaban A.T. Using real numbers as vertex invariants for third-generation topological indexes. J. Chem. Inf. Comput. Sci. 32 (1992) 23-28
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 23-28
    • Balaban, A.T.1
  • 24
    • 33750316439 scopus 로고    scopus 로고
    • Model for prediction of anti-HIV activity of 2-pyridinone derivatives using novel topological descriptor
    • Bajaj S., Sambi S.S., and Madan A.K. Model for prediction of anti-HIV activity of 2-pyridinone derivatives using novel topological descriptor. QSAR Comb. Sci. 25 (2006) 813-823
    • (2006) QSAR Comb. Sci. , vol.25 , pp. 813-823
    • Bajaj, S.1    Sambi, S.S.2    Madan, A.K.3
  • 25
    • 33750067961 scopus 로고    scopus 로고
    • 2A receptor antagonistic activity of arylindoles: computational approach using topochemical descriptors
    • 2A receptor antagonistic activity of arylindoles: computational approach using topochemical descriptors. J. Mol. Graph. Model. 25 (2006) 373-379
    • (2006) J. Mol. Graph. Model. , vol.25 , pp. 373-379
    • Dureja, H.1    Madan, A.K.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.