메뉴 건너뛰기




Volumn 27, Issue 3, 2012, Pages 339-347

Pharmacophore modelling and atom-based 3D-QSAR studies on N-methyl pyrimidones as HIV-1 integrase inhibitors

Author keywords

3D QSAR; AIDS; HIV 1 IN; N methyl pyrimidones; Pharmacophore modelling

Indexed keywords

AROMATIC COMPOUND; HYDROGEN; INTEGRASE INHIBITOR; LIGAND; PYRIMIDINONE DERIVATIVE;

EID: 84860352991     PISSN: 14756366     EISSN: 14756374     Source Type: Journal    
DOI: 10.3109/14756366.2011.590803     Document Type: Article
Times cited : (38)

References (29)
  • 1
    • 0027250808 scopus 로고
    • How does HIV cause AIDS?
    • Weiss RA. How does HIV cause AIDS? Science 1993;260:1273-1279. (Pubitemid 23231970)
    • (1993) Science , vol.260 , Issue.5112 , pp. 1273-1279
    • Weiss, R.A.1
  • 3
    • 0019782357 scopus 로고
    • Pneumocystis carinii pneumonia and mucosal candidiasis in previously healthy homosexual men. Evidence of a new acquired cellular immunodeficiency
    • Gottlieb MS, Schroff R, Schanker HM, Weisman JD, Fan PT, Wolf RA et al. Pneumocystis carinii pneumonia and mucosal candidiasis in previously healthy homosexual men: evidence of a new acquired cellular immunodeficiency. N Engl J Med 1981;305:1425-1431. (Pubitemid 12240076)
    • (1981) New England Journal of Medicine , vol.305 , Issue.24 , pp. 1425-1431
    • Gottlieb, M.S.1    Schroff, R.2    Schanker, H.M.3
  • 4
    • 0019774135 scopus 로고
    • An outbreak of community-acquired Pneumocystis carinii pneumonia. Initial manifestation of cellular immune dysfunction
    • Masur H, Michelis MA, Greene JB, Onorato I, Stouwe RA, Holzman RS et al. An outbreak of community-acquired Pneumocystis carinii pneumonia: initial manifestation of cellular immune dysfunction. N Engl J Med 1981;305:1431-1438. (Pubitemid 12240077)
    • (1981) New England Journal of Medicine , vol.305 , Issue.24 , pp. 1431-1438
    • Masur, H.1    Michelis, M.A.2    Greene, J.B.3
  • 5
    • 0020596551 scopus 로고
    • Isolation of a T-lymphotropic retrovirus from a patient at risk for acquired immune deficiency syndrome (AIDS)
    • Barré-Sinoussi F, Chermann JC, Rey F, Nugeyre MT, Chamaret S, Gruest J et al. Isolation of a T-lymphotropic retrovirus from a patient at risk for acquired immune deficiency syndrome (AIDS). Science 1983;220:868-871. (Pubitemid 13080157)
    • (1983) Science , vol.220 , Issue.4599 , pp. 868-871
    • Barre Sinoussi, F.1    Chermann, J.C.2    Rey, F.3
  • 7
    • 1642527382 scopus 로고    scopus 로고
    • Study confirms effectiveness of antiretroviral drugs for HIV patients
    • Hagmann M. Study confirms effectiveness of antiretroviral drugs for HIV patients. Bull World Health Organ 2003;81:918-919.
    • (2003) Bull. World Health Organ. , vol.81 , pp. 918-919
    • Hagmann, M.1
  • 8
    • 0035968306 scopus 로고    scopus 로고
    • HIV integrase, a brief overview from chemistry to therapeutics
    • Craigie R. HIV integrase, a brief overview from chemistry to therapeutics. J Biol Chem 2001;276:23213-23216.
    • (2001) J. Biol. Chem. , vol.276 , pp. 23213-23216
    • Craigie, R.1
  • 10
    • 78149492207 scopus 로고    scopus 로고
    • Integrase inhibitors in the treatment of HIV-1 infection
    • Powderly WG. Integrase inhibitors in the treatment of HIV-1 infection. J Antimicrob Chemother 2010;65:2485-2488.
    • (2010) J. Antimicrob. Chemother. , vol.65 , pp. 2485-2488
    • Powderly, W.G.1
  • 11
    • 0029094543 scopus 로고
    • Concerted integration of retrovirus-like DNA by human immunodeficiency virus type 1 integrase
    • Goodarzi G, Im GJ, Brackmann K, Grandgenett D. Concerted integration of retrovirus-like DNA by human immunodeficiency virus type 1 integrase. J Virol 1995;69:6090-6097.
    • (1995) J. Virol. , vol.69 , pp. 6090-6097
    • Goodarzi, G.1    Im, G.J.2    Brackmann, K.3    Grandgenett, D.4
  • 12
    • 0026549933 scopus 로고
    • Reversal of integration and DNA splicing mediated by integrase of human immunodeficiency virus
    • Chow SA, Vincent KA, Ellison V, Brown PO. Reversal of integration and DNA splicing mediated by integrase of human immunodeficiency virus. Science 1992;255:723-726.
    • (1992) Science , vol.255 , pp. 723-726
    • Chow, S.A.1    Vincent, K.A.2    Ellison, V.3    Brown, P.O.4
  • 13
    • 0028790504 scopus 로고
    • Enhanced and coordinated processing of synapsed viral DNA ends by retroviral integrases in vitro
    • Kukolj G, Skalka AM. Enhanced and coordinated processing of synapsed viral DNA ends by retroviral integrases in vitro. Genes Dev 1995;9:2556-2567.
    • (1995) Genes Dev. , vol.9 , pp. 2556-2567
    • Kukolj, G.1    Skalka, A.M.2
  • 14
    • 13044295993 scopus 로고    scopus 로고
    • Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: A platform for antiviral drug design
    • Goldgur Y, Craigie R, Cohen GH, Fujiwara T, Yoshinaga T, Fujishita T et al. Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design. Proc Natl Acad Sci USA 1999;96:13040-13043.
    • (1999) Proc. Natl. Acad. Sci. USA , vol.96 , pp. 13040-13043
    • Goldgur, Y.1    Craigie, R.2    Cohen, G.H.3    Fujiwara, T.4    Yoshinaga, T.5    Fujishita, T.6
  • 15
    • 0026649557 scopus 로고
    • Identification of conserved amino acid residues critical for human immunodeficiency virus type 1 integrase function in vitro
    • Engelman A, Craigie R. Identification of conserved amino acid residues critical for human immunodeficiency virus type 1 integrase function in vitro. J Virol 1992;66:6361-6369.
    • (1992) J. Virol. , vol.66 , pp. 6361-6369
    • Engelman, A.1    Craigie, R.2
  • 16
    • 0028584269 scopus 로고
    • Crystal structure of the catalytic domain of HIV-1 integrase: Similarity to other polynucleotidyl transferases
    • Dyda F, Hickman AB, Jenkins TM, Engelman A, Craigie R, Davies DR. Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. Science 1994;266:1981-1986.
    • (1994) Science , vol.266 , pp. 1981-1986
    • Dyda, F.1    Hickman, A.B.2    Jenkins, T.M.3    Engelman, A.4    Craigie, R.5    Davies, D.R.6
  • 18
    • 33845868822 scopus 로고    scopus 로고
    • PHASE: A new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
    • DOI 10.1007/s10822-006-9087-6
    • Dixon SL, Smondyrev AM, Knoll EH, Rao SN, Shaw DE, Friesner RA. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J Comput Aided Mol Des 2006;20:647-671. (Pubitemid 46023928)
    • (2006) Journal of Computer-Aided Molecular Design , vol.20 , Issue.10-11 , pp. 647-671
    • Dixon, S.L.1    Smondyrev, A.M.2    Knoll, E.H.3    Rao, S.N.4    Shaw, D.E.5    Friesner, R.A.6
  • 19
    • 33745213575 scopus 로고    scopus 로고
    • PHASE: A novel approach to pharmacophore modeling and 3D database searching
    • Dixon SL, Smondyrev AM, Rao SN. PHASE: a novel approach to pharmacophore modeling and 3D database searching. Chem Biol Drug Des 2006;67:370-372.
    • (2006) Chem. Biol. Drug Des. , vol.67 , pp. 370-372
    • Dixon, S.L.1    Smondyrev, A.M.2    Rao, S.N.3
  • 20
    • 84870774717 scopus 로고    scopus 로고
    • Schrödinger New York, NY
    • Phase 3.2, User manual. Schrödinger, New York, NY, 2010.
    • (2010) Phase 3.2 User manual
  • 21
    • 79959373132 scopus 로고    scopus 로고
    • Schrödinger New York, NY
    • Phase, version 3.2. Schrödinger, New York, NY, 2010.
    • (2010) Phase Version 3.2
  • 23
    • 52449097240 scopus 로고    scopus 로고
    • Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection
    • Summa V, Petrocchi A, Bonelli F, Crescenzi B, Donghi M, Ferrara M et al. Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection. J Med Chem 2008;51:5843-5855.
    • (2008) J. Med. Chem. , vol.51 , pp. 5843-5855
    • Summa, V.1    Petrocchi, A.2    Bonelli, F.3    Crescenzi, B.4    Donghi, M.5    Ferrara, M.6
  • 24
    • 5544242529 scopus 로고    scopus 로고
    • MMFF VI. MMFF94s option for energy minimization studies
    • Halgren TA. MMFF VI: MMFF94s option for energy minimization studies. J Comp Chem, 1999;20:720-729. (Pubitemid 129652635)
    • (1999) Journal of Computational Chemistry , vol.20 , Issue.7 , pp. 720-729
    • Halgren, T.A.1
  • 26
    • 34250892426 scopus 로고    scopus 로고
    • 3 antagonists
    • DOI 10.1002/qsar.200610144
    • Narkhede S, Degani M. Pharmacophore refinement and 3D-QSAR studies of histamine H3 antagonists. QSAR Combinatorial Sci 2007;26:744-753. (Pubitemid 46984720)
    • (2007) QSAR and Combinatorial Science , vol.26 , Issue.6 , pp. 744-753
    • Narkhede, S.S.1    Degani, M.S.2
  • 27
    • 50349094786 scopus 로고    scopus 로고
    • Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug-resistance-associated protein (MRP1) modulators
    • Tawari NR, Bag S, Degani MS. Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug-resistance-associated protein (MRP1) modulators. J Mol Model 2008;14:911-921.
    • (2008) J. Mol. Model , vol.14 , pp. 911-921
    • Tawari, N.R.1    Bag, S.2    Degani, M.S.3
  • 28
    • 77955313539 scopus 로고    scopus 로고
    • Pharmacophore modeling and 3D-QSAR analysis of phosphoinositide 3-kinase p110alpha inhibitors
    • Li Y, Wang Y, Zhang F. Pharmacophore modeling and 3D-QSAR analysis of phosphoinositide 3-kinase p110alpha inhibitors. J Mol Model 2010;16:1449-1460.
    • (2010) J. Mol. Model , vol.16 , pp. 1449-1460
    • Li, Y.1    Wang, Y.2    Zhang, F.3
  • 29
    • 77956964002 scopus 로고    scopus 로고
    • Best practices for QSAR model development, validation, and exploitation
    • Tropsha A. Best practices for QSAR model development, validation, and exploitation. Mol Inf 2010;29:476-488.
    • (2010) Mol. Inf. , vol.29 , pp. 476-488
    • Tropsha, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.