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Volumn 112, Issue 22, 2015, Pages 6979-6984

Identification of mechanistically distinct inhibitors of HIV-1 reverse transcriptase through fragment screening

Author keywords

Allosteric inhibitors; Fragment based drug discovery; HIV; Reverse transcriptase; STD NMR

Indexed keywords

4 AMINOPHENOL; 4 DIMETHYLAMINO 6 VINYLPYRIMIDINE 1; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; DEOXYRIBONUCLEOSIDE TRIPHOSPHATE; DNA DIRECTED DNA POLYMERASE; DNA DIRECTED DNA POLYMERASE BETA; DNA DIRECTED DNA POLYMERASE GAMMA; INDOLOPYRIDONE 1; NONNUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR; PRIMER DNA; RIBONUCLEASE H; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG; MOLECULAR LIBRARY; PRODRUG;

EID: 84930958949     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1423900112     Document Type: Article
Times cited : (23)

References (37)
  • 1
    • 84891344260 scopus 로고    scopus 로고
    • Available at Accessed May 5, 2015
    • UNAIDS (2013) UNAIDS report on the global AIDS epidemic 2013. Available at www.unaids.org/sites/default/files/media-asset/UNAIDS-Global-Report-2013-en-1.pdf. Accessed May 5, 2015.
    • (2013) UNAIDS Report on the Global AIDS Epidemic 2013
    • UNAIDS1
  • 2
    • 77952008414 scopus 로고    scopus 로고
    • Antiretroviral therapy in the clinic
    • Tsibris AM, Hirsch MS (2010) Antiretroviral therapy in the clinic. J Virol 84(11):5458-5464.
    • (2010) J Virol , vol.84 , Issue.11 , pp. 5458-5464
    • Tsibris, A.M.1    Hirsch, M.S.2
  • 3
    • 84878306536 scopus 로고    scopus 로고
    • Oral antiretroviral drugs as public health tools for HIV prevention: Global implications for adherence, drug resistance, and the success of HIV treatment programs
    • Gupta RK, et al. (2013) Oral antiretroviral drugs as public health tools for HIV prevention: Global implications for adherence, drug resistance, and the success of HIV treatment programs. J Infect Dis 207(Suppl 2):S101-S106.
    • (2013) J Infect Dis , vol.207 , pp. S101-S106
    • Gupta, R.K.1
  • 4
    • 84870824536 scopus 로고    scopus 로고
    • HIV-1 reverse transcriptase still remains a new drug target: Structure, function, classical inhibitors, and new inhibitors with innovative mechanisms of actions
    • Esposito F, Corona A, Tramontano E (2012) HIV-1 reverse transcriptase still remains a new drug target: Structure, function, classical inhibitors, and new inhibitors with innovative mechanisms of actions. Mol Biol Int 2012:586401.
    • (2012) Mol Biol Int , vol.2012 , pp. 586401
    • Esposito, F.1    Corona, A.2    Tramontano, E.3
  • 5
    • 3342877839 scopus 로고    scopus 로고
    • Collective motions in HIV-1 reverse transcriptase: Examination of flexibility and enzyme function
    • Bahar I, Erman B, Jernigan RL, Atilgan AR, Covell DG (1999) Collective motions in HIV-1 reverse transcriptase: Examination of flexibility and enzyme function. J Mol Biol 285(3): 1023-1037.
    • (1999) J Mol Biol , vol.285 , Issue.3 , pp. 1023-1037
    • Bahar, I.1    Erman, B.2    Jernigan, R.L.3    Atilgan, A.R.4    Covell, D.G.5
  • 6
    • 84876221270 scopus 로고    scopus 로고
    • Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening
    • Bauman JD, et al. (2013) Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening. J Med Chem 56(7):2738-2746.
    • (2013) J Med Chem , vol.56 , Issue.7 , pp. 2738-2746
    • Bauman, J.D.1
  • 7
    • 77749264656 scopus 로고    scopus 로고
    • Crystal structure of HIV-1 reverse transcriptase bound to a non-nucleoside inhibitor with a novel mechanism of action
    • Freisz S, et al. (2010) Crystal structure of HIV-1 reverse transcriptase bound to a non-nucleoside inhibitor with a novel mechanism of action. Angew Chem Int Ed Engl 49(10):1805-1808.
    • (2010) Angew Chem Int Ed Engl , vol.49 , Issue.10 , pp. 1805-1808
    • Freisz, S.1
  • 8
    • 33847381100 scopus 로고    scopus 로고
    • A decade of fragment-based drug design: Strategic advances and lessons learned
    • Hajduk PJ, Greer J (2007) A decade of fragment-based drug design: Strategic advances and lessons learned. Nat Rev Drug Discov 6(3):211-219.
    • (2007) Nat Rev Drug Discov , vol.6 , Issue.3 , pp. 211-219
    • Hajduk, P.J.1    Greer, J.2
  • 9
    • 42949149240 scopus 로고    scopus 로고
    • Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
    • Tsai J, et al. (2008) Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc Natl Acad Sci USA 105(8):3041-3046.
    • (2008) Proc Natl Acad Sci USA , vol.105 , Issue.8 , pp. 3041-3046
    • Tsai, J.1
  • 10
    • 0141726877 scopus 로고    scopus 로고
    • A 'rule of three' for fragment-based lead discovery?
    • Congreve M, Carr R, Murray C, Jhoti H (2003) A 'rule of three' for fragment-based lead discovery? Drug Discov Today 8(19):876-877.
    • (2003) Drug Discov Today , vol.8 , Issue.19 , pp. 876-877
    • Congreve, M.1    Carr, R.2    Murray, C.3    Jhoti, H.4
  • 11
    • 84880567242 scopus 로고    scopus 로고
    • Fragment screening by weak affinity chromatography: Comparison with established techniques for screening against HSP90
    • Meiby E, et al. (2013) Fragment screening by weak affinity chromatography: Comparison with established techniques for screening against HSP90. Anal Chem 85(14):6756-6766.
    • (2013) Anal Chem , vol.85 , Issue.14 , pp. 6756-6766
    • Meiby, E.1
  • 12
    • 84881423067 scopus 로고    scopus 로고
    • Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery
    • Silvestre HL, Blundell TL, Abell C, Ciulli A (2013) Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc Natl Acad Sci USA 110(32):12984-12989.
    • (2013) Proc Natl Acad Sci USA , vol.110 , Issue.32 , pp. 12984-12989
    • Silvestre, H.L.1    Blundell, T.L.2    Abell, C.3    Ciulli, A.4
  • 13
    • 1942453243 scopus 로고    scopus 로고
    • Ligand efficiency: A useful metric for lead selection
    • Hopkins AL, Groom CR, Alex A (2004) Ligand efficiency: A useful metric for lead selection. Drug Discov Today 9(10):430-431.
    • (2004) Drug Discov Today , vol.9 , Issue.10 , pp. 430-431
    • Hopkins, A.L.1    Groom, C.R.2    Alex, A.3
  • 14
    • 17044403086 scopus 로고    scopus 로고
    • Ligand efficiency indices as guideposts for drug discovery
    • Abad-Zapatero C, Metz JT (2005) Ligand efficiency indices as guideposts for drug discovery. Drug Discov Today 10(7):464-469.
    • (2005) Drug Discov Today , vol.10 , Issue.7 , pp. 464-469
    • Abad-Zapatero, C.1    Metz, J.T.2
  • 15
    • 84907344278 scopus 로고    scopus 로고
    • Novel high-throughput screen identifies an HIV-1 reverse transcriptase inhibitor with a unique mechanism of action
    • Sheen CW, Alptürk O, Sluis-Cremer N (2014) Novel high-throughput screen identifies an HIV-1 reverse transcriptase inhibitor with a unique mechanism of action. Biochem J 462(3):425-432.
    • (2014) Biochem J , vol.462 , Issue.3 , pp. 425-432
    • Sheen, C.W.1    Alptürk, O.2    Sluis-Cremer, N.3
  • 16
    • 79851493846 scopus 로고    scopus 로고
    • Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening
    • Geitmann M, et al. (2011) Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening. J Med Chem 54(3):699-708.
    • (2011) J Med Chem , vol.54 , Issue.3 , pp. 699-708
    • Geitmann, M.1
  • 17
    • 84872508886 scopus 로고    scopus 로고
    • Parallel screening of low molecular weight fragment libraries: Do differences in methodology affect hit identification?
    • Wielens J, et al. (2013) Parallel screening of low molecular weight fragment libraries: Do differences in methodology affect hit identification? J Biomol Screen 18(2):147-159.
    • (2013) J Biomol Screen , vol.18 , Issue.2 , pp. 147-159
    • Wielens, J.1
  • 18
    • 50849105061 scopus 로고    scopus 로고
    • Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design
    • Bauman JD, et al. (2008) Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Nucleic Acids Res 36(15):5083-5092.
    • (2008) Nucleic Acids Res , vol.36 , Issue.15 , pp. 5083-5092
    • Bauman, J.D.1
  • 19
    • 84877847712 scopus 로고    scopus 로고
    • Identification and characterization of a novel HIV-1 nucleotide-competing reverse transcriptase inhibitor series
    • Rajotte D, et al. (2013) Identification and characterization of a novel HIV-1 nucleotide-competing reverse transcriptase inhibitor series. Antimicrob Agents Chemother 57(6): 2712-2718.
    • (2013) Antimicrob Agents Chemother , vol.57 , Issue.6 , pp. 2712-2718
    • Rajotte, D.1
  • 20
    • 34249715422 scopus 로고    scopus 로고
    • Discovery of non-nucleoside inhibitors of HIV-1 reverse transcriptase competing with the nucleotide substrate
    • Maga G, et al. (2007) Discovery of non-nucleoside inhibitors of HIV-1 reverse transcriptase competing with the nucleotide substrate. Angew Chem Int Ed Engl 46(11): 1810-1813.
    • (2007) Angew Chem Int Ed Engl , vol.46 , Issue.11 , pp. 1810-1813
    • Maga, G.1
  • 21
    • 84905735621 scopus 로고    scopus 로고
    • 2014 Update of the drug resistance mutations in HIV-1
    • Wensing AM, et al. (2014) 2014 Update of the drug resistance mutations in HIV-1. Top Antivir Med 22(3):642-650.
    • (2014) Top Antivir Med , vol.22 , Issue.3 , pp. 642-650
    • Wensing, A.M.1
  • 22
    • 77049143386 scopus 로고
    • The determination of enzyme inhibitor constants
    • Dixon M (1953) The determination of enzyme inhibitor constants. Biochem J 55(1): 170-171.
    • (1953) Biochem J , vol.55 , Issue.1 , pp. 170-171
    • Dixon, M.1
  • 23
    • 33845410116 scopus 로고    scopus 로고
    • Indolopyridones inhibit human immunodeficiency virus reverse transcriptase with a novel mechanism of action
    • Jochmans D, et al. (2006) Indolopyridones inhibit human immunodeficiency virus reverse transcriptase with a novel mechanism of action. J Virol 80(24):12283-12292.
    • (2006) J Virol , vol.80 , Issue.24 , pp. 12283-12292
    • Jochmans, D.1
  • 24
    • 0027436898 scopus 로고
    • Selective and synergistic inhibition of human immunodeficiency virus type 1 reverse transcriptase by a non-nucleoside inhibitor, MKC-442
    • Yuasa S, et al. (1993) Selective and synergistic inhibition of human immunodeficiency virus type 1 reverse transcriptase by a non-nucleoside inhibitor, MKC-442. Mol Pharmacol 44(4):895-900.
    • (1993) Mol Pharmacol , vol.44 , Issue.4 , pp. 895-900
    • Yuasa, S.1
  • 25
    • 70350422335 scopus 로고    scopus 로고
    • NMR methods in fragment screening: Theory and a comparison with other biophysical techniques
    • Dalvit C (2009) NMR methods in fragment screening: Theory and a comparison with other biophysical techniques. Drug Discov Today 14(21-22):1051-1057.
    • (2009) Drug Discov Today , vol.14 , Issue.21-22 , pp. 1051-1057
    • Dalvit, C.1
  • 26
    • 0031000566 scopus 로고    scopus 로고
    • Inhibition of the ribonuclease H and DNA polymerase activities of HIV-1 reverse transcriptase by N-(4-tert-butylbenzoyl)-2-hydroxy-1-naphthaldehyde hydrazone
    • Borkow G, et al. (1997) Inhibition of the ribonuclease H and DNA polymerase activities of HIV-1 reverse transcriptase by N-(4-tert-butylbenzoyl)-2-hydroxy-1-naphthaldehyde hydrazone. Biochemistry 36(11):3179-3185.
    • (1997) Biochemistry , vol.36 , Issue.11 , pp. 3179-3185
    • Borkow, G.1
  • 27
    • 80051975966 scopus 로고    scopus 로고
    • Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies
    • Felts AK, et al. (2011) Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies. J Chem Inf Model 51(8):1986-1998.
    • (2011) J Chem Inf Model , vol.51 , Issue.8 , pp. 1986-1998
    • Felts, A.K.1
  • 28
    • 34447574625 scopus 로고    scopus 로고
    • Aptamer displacement identifies alternative small-molecule target sites that escape viral resistance
    • Yamazaki S, et al. (2007) Aptamer displacement identifies alternative small-molecule target sites that escape viral resistance. Chem Biol 14(7):804-812.
    • (2007) Chem Biol , vol.14 , Issue.7 , pp. 804-812
    • Yamazaki, S.1
  • 29
    • 4644270641 scopus 로고    scopus 로고
    • Novel mechanism of inhibition of HIV-1 reverse transcriptase by a new non-nucleoside analog, KM-1
    • Wang LZ, Kenyon GL, Johnson KA (2004) Novel mechanism of inhibition of HIV-1 reverse transcriptase by a new non-nucleoside analog, KM-1. J Biol Chem 279(37): 38424-38432.
    • (2004) J Biol Chem , vol.279 , Issue.37 , pp. 38424-38432
    • Wang, L.Z.1    Kenyon, G.L.2    Johnson, K.A.3
  • 30
    • 84891895456 scopus 로고    scopus 로고
    • PAINS: Relevance to tool compound discovery and fragment-based screening
    • Baell JB, Ferrins L, Falk H, Nikolakopoulos G (2013) PAINS: Relevance to tool compound discovery and fragment-based screening. Aust J Chem 66(12):1483-1494.
    • (2013) Aust J Chem , vol.66 , Issue.12 , pp. 1483-1494
    • Baell, J.B.1    Ferrins, L.2    Falk, H.3    Nikolakopoulos, G.4
  • 31
    • 43049095986 scopus 로고    scopus 로고
    • Murine leukemia virus reverse transcriptase: Structural comparison with HIV-1 reverse transcriptase
    • Coté ML, Roth MJ (2008) Murine leukemia virus reverse transcriptase: Structural comparison with HIV-1 reverse transcriptase. Virus Res 134(1-2):186-202.
    • (2008) Virus Res , vol.134 , Issue.1-2 , pp. 186-202
    • Coté, M.L.1    Roth, M.J.2
  • 32
    • 84879739762 scopus 로고    scopus 로고
    • Thermodynamics of HIV-1 reverse transcriptase in action elucidates the mechanism of action of non-nucleoside inhibitors
    • Bec G, et al. (2013) Thermodynamics of HIV-1 reverse transcriptase in action elucidates the mechanism of action of non-nucleoside inhibitors. J Am Chem Soc 135(26): 9743-9752.
    • (2013) J Am Chem Soc , vol.135 , Issue.26 , pp. 9743-9752
    • Bec, G.1
  • 33
    • 84922372074 scopus 로고    scopus 로고
    • Mechanism of allosteric inhibition of HIV-1 reverse transcriptase revealed by single-molecule and ensemble fluorescence
    • Schauer GD, Huber KD, Leuba SH, Sluis-Cremer N (2014) Mechanism of allosteric inhibition of HIV-1 reverse transcriptase revealed by single-molecule and ensemble fluorescence. Nucleic Acids Res 42(18):11687-11696.
    • (2014) Nucleic Acids Res , vol.42 , Issue.18 , pp. 11687-11696
    • Schauer, G.D.1    Huber, K.D.2    Leuba, S.H.3    Sluis-Cremer, N.4
  • 34
    • 38049028352 scopus 로고    scopus 로고
    • N348I in the connection domain of HIV-1 reverse transcriptase confers zidovudine and nevirapine resistance
    • Yap SH, et al. (2007) N348I in the connection domain of HIV-1 reverse transcriptase confers zidovudine and nevirapine resistance. PLoS Med 4(12):e335.
    • (2007) PLoS Med , vol.4 , Issue.12 , pp. e335
    • Yap, S.H.1
  • 35
    • 0003043542 scopus 로고
    • The possible effect of the aggregation of the molecules of haemoglobin on its oxygen dissociation curve
    • Hill AV (1910) The possible effect of the aggregation of the molecules of haemoglobin on its oxygen dissociation curve. J Physiol 40:iv-vii.
    • (1910) J Physiol , vol.40 , pp. iv-vii
    • Hill, A.V.1
  • 36
    • 38549172567 scopus 로고    scopus 로고
    • Efavirenz accelerates HIV-1 reverse transcriptase ribonuclease H cleavage, leading to diminished zidovudine excision
    • Radzio J, Sluis-Cremer N (2008) Efavirenz accelerates HIV-1 reverse transcriptase ribonuclease H cleavage, leading to diminished zidovudine excision. Mol Pharmacol 73(2):601-606.
    • (2008) Mol Pharmacol , vol.73 , Issue.2 , pp. 601-606
    • Radzio, J.1    Sluis-Cremer, N.2
  • 37
    • 0141758137 scopus 로고    scopus 로고
    • A fluorescence-based high-throughput screening assay for inhibitors of human immunodeficiency virus-1 reverse transcriptase-associated ribonuclease H activity
    • Parniak MA, Min KL, Budihas SR, Le Grice SF, Beutler JA (2003) A fluorescence-based high-throughput screening assay for inhibitors of human immunodeficiency virus-1 reverse transcriptase-associated ribonuclease H activity. Anal Biochem 322(1):33-39.
    • (2003) Anal Biochem , vol.322 , Issue.1 , pp. 33-39
    • Parniak, M.A.1    Min, K.L.2    Budihas, S.R.3    Le Grice, S.F.4    Beutler, J.A.5


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