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Volumn 18, Issue 10, 2013, Pages 12051-12070

Identification of new natural DNA G-quadruplex binders selected by a structure-based virtual screening approach

Author keywords

DNA; Docking; G quadruplex; Natural compounds; PDB; Pharmacophore; Virtual screening

Indexed keywords

ACRIDINE DERIVATIVE; BRACO19; CHALCONE DERIVATIVE; DNA; GUANINE QUADRUPLEX; MOLECULAR LIBRARY;

EID: 84886615422     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules181012051     Document Type: Article
Times cited : (22)

References (98)
  • 1
    • 0017833637 scopus 로고
    • A tandemly repeated sequence at the termini of extrachromosomal ribosomal RNA genes in Tetrahymena
    • Blackburn, E.H.; Gall, J.G. A tandemly repeated sequence at the termini of extrachromosomal ribosomal RNA genes in Tetrahymena. J. Mol. Biol. 1978, 120, 33-53.
    • (1978) J. Mol. Biol. , vol.120 , pp. 33-53
    • Blackburn, E.H.1    Gall, J.G.2
  • 2
    • 0024362809 scopus 로고
    • Human Telomeres contain at least 3 types of G-rich repeat distributed non-randomly
    • Allshire, R.C.; Dempster, M.; Hastie, N.D. Human Telomeres contain at least 3 types of G-rich repeat distributed non-randomly. Nucleic Acids Res. 1989, 17, 4611-4627.
    • (1989) Nucleic Acids Res. , vol.17 , pp. 4611-4627
    • Allshire, R.C.1    Dempster, M.2    Hastie, N.D.3
  • 5
    • 34447541999 scopus 로고    scopus 로고
    • RNA quadruplex-based modulation of gene expression
    • Wieland, M.; Hartig, J.S. RNA quadruplex-based modulation of gene expression. Chem. Biol. 2007, 14, 757-763.
    • (2007) Chem. Biol. , vol.14 , pp. 757-763
    • Wieland, M.1    Hartig, J.S.2
  • 6
    • 78650442734 scopus 로고    scopus 로고
    • RNA G-Quadruplexes in the model plant species Arabidopsis thaliana: Prevalence and possible functional roles
    • Mullen, M.A.; Olson, K.J.; Dallaire, P.; Major, F.; Assmann, S.M.; Bevilacqua, P.C. RNA G-Quadruplexes in the model plant species Arabidopsis thaliana: Prevalence and possible functional roles. Nucleic Acids Res. 2010, 38, 8149-8163.
    • (2010) Nucleic Acids Res. , vol.38 , pp. 8149-8163
    • Mullen, M.A.1    Olson, K.J.2    Dallaire, P.3    Major, F.4    Assmann, S.M.5    Bevilacqua, P.C.6
  • 7
    • 0025877846 scopus 로고
    • Inhibition of telomerase by G-quartet DNA structures
    • Zahler, A.M.; Williamson, J.R.; Cech, T.R.; Prescott, D.M. Inhibition of telomerase by G-quartet DNA structures. Nature 1991, 350, 718-720.
    • (1991) Nature , vol.350 , pp. 718-720
    • Zahler, A.M.1    Williamson, J.R.2    Cech, T.R.3    Prescott, D.M.4
  • 9
    • 33646359481 scopus 로고    scopus 로고
    • Predictive modelling of topology and loop variations in dimeric DNA quadruplex structures
    • Hazel, P.; Parkinson, G.N.; Neidle, S. Predictive modelling of topology and loop variations in dimeric DNA quadruplex structures. Nucleic Acids Res. 2006, 34, 2117-2127.
    • (2006) Nucleic Acids Res. , vol.34 , pp. 2117-2127
    • Hazel, P.1    Parkinson, G.N.2    Neidle, S.3
  • 10
    • 0028024737 scopus 로고
    • The high resolution crystal structure of a parallel-stranded guanine tetraplex
    • Laughlan, G.; Murchie, A.; Norman, D.; Moore, M.; Moody, P.; Lilley, D.; Luisi, B. The high resolution crystal structure of a parallel-stranded guanine tetraplex. Science 1994, 265, 520-524.
    • (1994) Science , vol.265 , pp. 520-524
    • Laughlan, G.1    Murchie, A.2    Norman, D.3    Moore, M.4    Moody, P.5    Lilley, D.6    Luisi, B.7
  • 11
    • 0031576353 scopus 로고    scopus 로고
    • The crystal structure of a parallel-stranded guanine tetraplex at 0.95 Å resolution
    • Phillips, K.; Dauter, Z.; Murchie, A.I.H.; Lilley, D.M.J.; Luisi, B. The crystal structure of a parallel-stranded guanine tetraplex at 0.95 Å resolution. J. Mol. Biol. 1997, 273, 171-182.
    • (1997) J. Mol. Biol. , vol.273 , pp. 171-182
    • Phillips, K.1    Dauter, Z.2    Murchie, A.I.H.3    Lilley, D.M.J.4    Luisi, B.5
  • 12
    • 0001505226 scopus 로고    scopus 로고
    • Thermodynamic and kinetic characterization of the dissociation and assembly of quadruplex nucleic acids
    • Hardin, C.C.; Perry, A.G.; White, K. Thermodynamic and kinetic characterization of the dissociation and assembly of quadruplex nucleic acids. Biopolymers 2000, 56, 147-194.
    • (2000) Biopolymers , vol.56 , pp. 147-194
    • Hardin, C.C.1    Perry, A.G.2    White, K.3
  • 13
    • 78649850820 scopus 로고    scopus 로고
    • How long is too long? Effects of loop size on G-quadruplex stability
    • Guedin, A.; Gros, J.; Alberti, P.; Mergny, J.L. How long is too long? Effects of loop size on G-quadruplex stability. Nucleic Acids Res. 2010, 38, 7858-7868.
    • (2010) Nucleic Acids Res. , vol.38 , pp. 7858-7868
    • Guedin, A.1    Gros, J.2    Alberti, P.3    Mergny, J.L.4
  • 14
    • 38849085810 scopus 로고    scopus 로고
    • A sequence-independent study of the influence of short loop lengths on the stability and topology of intramolecular DNA G-quadruplexes
    • Bugaut, A.; Balasubramanian, S. A sequence-independent study of the influence of short loop lengths on the stability and topology of intramolecular DNA G-quadruplexes. Biochemistry 2008, 47, 689-697.
    • (2008) Biochemistry , vol.47 , pp. 689-697
    • Bugaut, A.1    Balasubramanian, S.2
  • 15
    • 38049030699 scopus 로고    scopus 로고
    • Human telomere, oncogenic promoter and 5′-UTR G-quadruplexes: Diverse higher order DNA and RNA targets for cancer therapeutics
    • Patel, D.J.; Phan, A.T.; Kuryavyi, V. Human telomere, oncogenic promoter and 5′-UTR G-quadruplexes: Diverse higher order DNA and RNA targets for cancer therapeutics. Nucleic Acids Res. 2007, 35, 7429-7455.
    • (2007) Nucleic Acids Res. , vol.35 , pp. 7429-7455
    • Patel, D.J.1    Phan, A.T.2    Kuryavyi, V.3
  • 17
    • 0036562687 scopus 로고    scopus 로고
    • Telomere maintenance as a target for anticancer drug discovery
    • Neidle, S.; Parkinson, G. Telomere maintenance as a target for anticancer drug discovery. Nat. Rev. Drug Discov. 2002, 1, 383-393.
    • (2002) Nat. Rev. Drug Discov. , vol.1 , pp. 383-393
    • Neidle, S.1    Parkinson, G.2
  • 19
    • 77953367722 scopus 로고    scopus 로고
    • Therapeutic targets and drugs: G-quadruplex and g-quadruplex inhibitors
    • Hiyama, K., Ed.; Humana Press: Totowa, NJ, USA
    • Punchihewa, C.; Yang, D.Z. Therapeutic Targets and Drugs: G-Quadruplex and G-Quadruplex Inhibitors. In Cancer Drug Discovery and Development: Telomeres and Telomerase in Cancer; Hiyama, K., Ed.; Humana Press: Totowa, NJ, USA, 2009; pp. 251-280.
    • (2009) Cancer Drug Discovery and Development: Telomeres and Telomerase in Cancer , pp. 251-280
    • Punchihewa, C.1    Yang, D.Z.2
  • 20
    • 4444354450 scopus 로고    scopus 로고
    • Analysis of telomerase activity and telomere function in cancer
    • Gordon, K.E.; Parkinson, E.K. Analysis of telomerase activity and telomere function in cancer. Methods Mol. Biol. 2004, 281, 333-348.
    • (2004) Methods Mol. Biol. , vol.281 , pp. 333-348
    • Gordon, K.E.1    Parkinson, E.K.2
  • 21
    • 2342568938 scopus 로고    scopus 로고
    • Synthesis and evaluation of analogues of 10H-indolo[3,2-b]quinoline as G-quadruplex stabilising ligands and potential inhibitors of the enzyme telomerase
    • Guyen, B.; Schultes, C.M.; Hazel, P.; Mann, J.; Neidle, S. Synthesis and evaluation of analogues of 10H-indolo[3,2-b]quinoline as G-quadruplex stabilising ligands and potential inhibitors of the enzyme telomerase. Org. Biomol. Chem. 2004, 2, 981-988.
    • (2004) Org. Biomol. Chem. , vol.2 , pp. 981-988
    • Guyen, B.1    Schultes, C.M.2    Hazel, P.3    Mann, J.4    Neidle, S.5
  • 22
    • 0031043998 scopus 로고    scopus 로고
    • Telomerase in the early detection of cancer
    • Shay, J.W.; Gazdar, A.F. Telomerase in the early detection of cancer. J. Clin. Pathol. 1997, 50, 106-109.
    • (1997) J. Clin. Pathol. , vol.50 , pp. 106-109
    • Shay, J.W.1    Gazdar, A.F.2
  • 23
    • 39749163359 scopus 로고    scopus 로고
    • Telomerase and cancer therapeutics
    • Harley, C.B. Telomerase and cancer therapeutics. Nat. Rev. Cancer 2008, 8, 167-179.
    • (2008) Nat. Rev. Cancer , vol.8 , pp. 167-179
    • Harley, C.B.1
  • 24
    • 39449092745 scopus 로고    scopus 로고
    • Targeting telomerase for cancer therapeutics
    • Shay, J.W.; Keith, W.N. Targeting telomerase for cancer therapeutics. Br. J. Cancer 2008, 98, 677-683.
    • (2008) Br. J. Cancer , vol.98 , pp. 677-683
    • Shay, J.W.1    Keith, W.N.2
  • 25
    • 77953381213 scopus 로고    scopus 로고
    • Structural insights into G-quadruplexes: Towards new anticancer drugs
    • Yang, D.; Okamoto, K. Structural insights into G-quadruplexes: Towards new anticancer drugs. Future Med. Chem. 2010, 2, 619-646.
    • (2010) Future Med. Chem. , vol.2 , pp. 619-646
    • Yang, D.1    Okamoto, K.2
  • 27
    • 39049147645 scopus 로고    scopus 로고
    • A hitchhiker's guide to G-quadruplex ligands
    • Monchaud, D.; Teulade-Fichou, M.P. A hitchhiker's guide to G-quadruplex ligands. Org. Biomol. Chem. 2008, 6, 627-636.
    • (2008) Org. Biomol. Chem. , vol.6 , pp. 627-636
    • Monchaud, D.1    Teulade-Fichou, M.P.2
  • 29
    • 0037423728 scopus 로고    scopus 로고
    • Structure of a G-quadruplex-ligand complex
    • Haider, S.M.; Parkinson, G.N.; Neidle, S. Structure of a G-quadruplex-ligand complex. J. Mol. Biol. 2003, 326, 117-125.
    • (2003) J. Mol. Biol. , vol.326 , pp. 117-125
    • Haider, S.M.1    Parkinson, G.N.2    Neidle, S.3
  • 30
    • 0142195770 scopus 로고    scopus 로고
    • Drug recognition and stabilisation of the parallel-stranded DNA quadruplex d(TTAGGGT)4 containing the human telomeric repeat
    • Gavathiotis, E.; Heald, R.A.; Stevens, M.F.; Searle, M.S. Drug recognition and stabilisation of the parallel-stranded DNA quadruplex d(TTAGGGT)4 containing the human telomeric repeat. J. Mol. Biol. 2003, 334, 25-36.
    • (2003) J. Mol. Biol. , vol.334 , pp. 25-36
    • Gavathiotis, E.1    Heald, R.A.2    Stevens, M.F.3    Searle, M.S.4
  • 31
    • 44349142304 scopus 로고    scopus 로고
    • Structural basis of DNA quadruplex recognition by an acridine drug
    • Campbell, N.H.; Parkinson, G.N.; Reszka, A.P.; Neidle, S. Structural basis of DNA quadruplex recognition by an acridine drug. J. Am. Chem. Soc. 2008, 130, 6722-6724.
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 6722-6724
    • Campbell, N.H.1    Parkinson, G.N.2    Reszka, A.P.3    Neidle, S.4
  • 32
    • 48749109524 scopus 로고    scopus 로고
    • Topology conservation and loop flexibility in quadruplex-drug recognition: Crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes
    • Parkinson, G.N.; Cuenca, F.; Neidle, S. Topology conservation and loop flexibility in quadruplex-drug recognition: Crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes. J. Mol. Biol. 2008, 381, 1145-1156.
    • (2008) J. Mol. Biol. , vol.381 , pp. 1145-1156
    • Parkinson, G.N.1    Cuenca, F.2    Neidle, S.3
  • 34
    • 13944272246 scopus 로고    scopus 로고
    • The G-quadruplex interactive molecule BRACO-19 inhibits tumor growth, consistent with telomere targeting and interference with telomerase function
    • Burger, A.M.; Dai, F.; Schultes, C.M.; Reszka, A.P.; Moore, M.J.; Double, J.A.; Neidle, S. The G-quadruplex interactive molecule BRACO-19 inhibits tumor growth, consistent with telomere targeting and interference with telomerase function. Cancer Res. 2005, 65, 1489-1496.
    • (2005) Cancer Res. , vol.65 , pp. 1489-1496
    • Burger, A.M.1    Dai, F.2    Schultes, C.M.3    Reszka, A.P.4    Moore, M.J.5    Double, J.A.6    Neidle, S.7
  • 35
    • 0041353443 scopus 로고    scopus 로고
    • Activity of a novel G-quadruplex-interactive telomerase inhibitor, telomestatin (SOT-095), against human leukemia cells: Involvement of ATM-dependent DNA damage response pathways
    • Tauchi, T.; Shin-Ya, K.; Sashida, G.; Sumi, M.; Nakajima, A.; Shimamoto, T.; Ohyashiki, J.H.; Ohyashiki, K. Activity of a novel G-quadruplex-interactive telomerase inhibitor, telomestatin (SOT-095), against human leukemia cells: Involvement of ATM-dependent DNA damage response pathways. Oncogene 2003, 22, 5338-5347.
    • (2003) Oncogene , vol.22 , pp. 5338-5347
    • Tauchi, T.1    Shin-Ya, K.2    Sashida, G.3    Sumi, M.4    Nakajima, A.5    Shimamoto, T.6    Ohyashiki, J.H.7    Ohyashiki, K.8
  • 37
    • 33748701981 scopus 로고    scopus 로고
    • Telomerase inhibition with a novel G-quadruplex-interactive agent, telomestatin: In vitro and in vivo studies in acute leukemia
    • Tauchi, T.; Shin-ya, K.; Sashida, G.; Sumi, M.; Okabe, S.; Ohyashiki, J.H.; Ohyashiki, K. Telomerase inhibition with a novel G-quadruplex-interactive agent, telomestatin: In vitro and in vivo studies in acute leukemia. Oncogene 2006, 25, 5719-5725.
    • (2006) Oncogene , vol.25 , pp. 5719-5725
    • Tauchi, T.1    Shin-Ya, K.2    Sashida, G.3    Sumi, M.4    Okabe, S.5    Ohyashiki, J.H.6    Ohyashiki, K.7
  • 41
    • 7444237059 scopus 로고    scopus 로고
    • A G-quadruplex telomere targeting agent produces p16-associated senescence and chromosomal fusions in human prostate cancer cells
    • Incles, C.M.; Schultes, C.M.; Kempski, H.; Koehler, H.; Kelland, L.R.; Neidle S. A G-quadruplex telomere targeting agent produces p16-associated senescence and chromosomal fusions in human prostate cancer cells. Mol. Cancer Therap. 2004, 3, 1201-1206.
    • (2004) Mol. Cancer Therap. , vol.3 , pp. 1201-1206
    • Incles, C.M.1    Schultes, C.M.2    Kempski, H.3    Koehler, H.4    Kelland, L.R.5    Neidle, S.6
  • 42
    • 18044391665 scopus 로고    scopus 로고
    • Overcoming the immortality of tumour cells by telomere and telomerase based cancer therapeutics - Current status and future prospects
    • Kelland, L.R. Overcoming the immortality of tumour cells by telomere and telomerase based cancer therapeutics - current status and future prospects. Eur. J. Cancer 2005, 41, 971-979.
    • (2005) Eur. J. Cancer , vol.41 , pp. 971-979
    • Kelland, L.R.1
  • 43
    • 0036241599 scopus 로고    scopus 로고
    • A G-quadruplex-interactive potent small-molecule inhibitor of telomerase exhibiting in vitro and in vivo antitumor activity
    • Gowan, S.M.; Harrison, J.R.; Patterson, L.; Valenti, M.; Read, M.A.; Neidle, S.; Kelland, L.R. A G-quadruplex-interactive potent small-molecule inhibitor of telomerase exhibiting in vitro and in vivo antitumor activity. Mol. Pharmacol. 2002, 61, 1154-1162.
    • (2002) Mol. Pharmacol. , vol.61 , pp. 1154-1162
    • Gowan, S.M.1    Harrison, J.R.2    Patterson, L.3    Valenti, M.4    Read, M.A.5    Neidle, S.6    Kelland, L.R.7
  • 46
  • 48
    • 77953901414 scopus 로고    scopus 로고
    • Identification of natural product Fonsecin B as a stabilizing ligand of c-myc G-quadruplex DNA by high-throughput virtual screening
    • Lee, H.M.; Chan, D.S.H.; Yang, F.; Lam, H.Y.; Yan, S.C.; Che, C.M.; Ma, D.L.; Leung, C.H. Identification of natural product Fonsecin B as a stabilizing ligand of c-myc G-quadruplex DNA by high-throughput virtual screening. Chem. Commun. 2010, 46, 4680-4682.
    • (2010) Chem. Commun. , vol.46 , pp. 4680-4682
    • Lee, H.M.1    Chan, D.S.H.2    Yang, F.3    Lam, H.Y.4    Yan, S.C.5    Che, C.M.6    Ma, D.L.7    Leung, C.H.8
  • 49
    • 79960697965 scopus 로고    scopus 로고
    • Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders
    • Alcaro, S.; Artese, A.; Costa, G.; Distinto, S.; Ortuso, F.; Parrotta L. Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders. Biochimie 2011, 93, 1267-1274.
    • (2011) Biochimie , vol.93 , pp. 1267-1274
    • Alcaro, S.1    Artese, A.2    Costa, G.3    Distinto, S.4    Ortuso, F.5    Parrotta, L.6
  • 50
    • 84884493796 scopus 로고    scopus 로고
    • Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data
    • Artese, A.; Costa, G.; Distinto, S.; Moraca, F.; Ortuso, F.; Parrotta, L.; Alcaro, S. Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data. Eur. J. Med. Chem. 2013, 68, 139-149.
    • (2013) Eur. J. Med. Chem. , vol.68 , pp. 139-149
    • Artese, A.1    Costa, G.2    Distinto, S.3    Moraca, F.4    Ortuso, F.5    Parrotta, L.6    Alcaro, S.7
  • 51
    • 84886637477 scopus 로고    scopus 로고
    • Molecular recognition of human telomeric DNA by phenanthroline-based G-quadruplex ligands
    • Artese, A.; Parrotta, L.; Alcaro, S.; Ortuso, F.; Costa, G.; Sissi, C. Molecular recognition of human telomeric DNA by phenanthroline-based G-quadruplex ligands. Open J. Med. Chem. 2013, 3, 41-49.
    • (2013) Open J. Med. Chem. , vol.3 , pp. 41-49
    • Artese, A.1    Parrotta, L.2    Alcaro, S.3    Ortuso, F.4    Costa, G.5    Sissi, C.6
  • 53
  • 55
    • 84860143899 scopus 로고    scopus 로고
    • The polymorphisms of DNA G-quadruplex investigated by docking experiments with telomestatin enantiomers
    • Alcaro, S.; Costa, G.; Distinto, S.; Moraca, F.; Ortuso, F.; Parrotta, L.; Artese, A. The polymorphisms of DNA G-quadruplex investigated by docking experiments with telomestatin enantiomers. Curr. Pharm Des. 2012, 18, 1873-1879.
    • (2012) Curr. Pharm Des. , vol.18 , pp. 1873-1879
    • Alcaro, S.1    Costa, G.2    Distinto, S.3    Moraca, F.4    Ortuso, F.5    Parrotta, L.6    Artese, A.7
  • 56
    • 84873894447 scopus 로고    scopus 로고
    • Identification and characterization of new DNA G-quadruplex binders selected by a combination of ligand and structure-based virtual screening approaches
    • Alcaro, S.; Musetti, C.; Distinto, S.; Casatti, M.; Zagotto, G.; Artese, A.; Parrotta, L.; Moraca, F.; Costa, G.; Ortuso, F.; et al. Identification and characterization of new DNA G-quadruplex binders selected by a combination of ligand and structure-based virtual screening approaches. J. Med. Chem. 2013, 56, 843-855.
    • (2013) J. Med. Chem. , vol.56 , pp. 843-855
    • Alcaro, S.1    Musetti, C.2    Distinto, S.3    Casatti, M.4    Zagotto, G.5    Artese, A.6    Parrotta, L.7    Moraca, F.8    Costa, G.9    Ortuso, F.10
  • 57
    • 34247272948 scopus 로고    scopus 로고
    • Evaluating virtual screening methods: Good and bad metrics for the "early recognition" problem
    • Truchon, J.F.; Bayly, C.I. Evaluating virtual screening methods: Good and bad metrics for the "early recognition" problem. J. Chem. Inf. Model. 2007, 47, 488-508.
    • (2007) J. Chem. Inf. Model. , vol.47 , pp. 488-508
    • Truchon, J.F.1    Bayly, C.I.2
  • 58
    • 17144385534 scopus 로고    scopus 로고
    • Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4
    • Triballeau, N.; Acher, F.; Brabet, I.; Pin, J.P.; Bertrand, H.O. Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4. J. Med. Chem. 2005, 48, 2534-2547.
    • (2005) J. Med. Chem. , vol.48 , pp. 2534-2547
    • Triballeau, N.1    Acher, F.2    Brabet, I.3    Pin, J.P.4    Bertrand, H.O.5
  • 60
    • 13844320566 scopus 로고    scopus 로고
    • Ligand Scout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
    • Wolber, G.; Langer, T. Ligand Scout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters. J. Chem. Inf. Model. 2005, 45, 160-169.
    • (2005) J. Chem. Inf. Model. , vol.45 , pp. 160-169
    • Wolber, G.1    Langer, T.2
  • 64
    • 77956276766 scopus 로고    scopus 로고
    • Analysis and comparison of 2D fingerprint: Insights into database screening performance using eight fingerprint methods
    • Duan, J.; Dixon, S.L.; Lowrie, J.F.; Sherman, W. Analysis and comparison of 2D fingerprint: Insights into database screening performance using eight fingerprint methods. J. Mol. Graph. Model. 2010, 29, 157-170.
    • (2010) J. Mol. Graph. Model. , vol.29 , pp. 157-170
    • Duan, J.1    Dixon, S.L.2    Lowrie, J.F.3    Sherman, W.4
  • 65
    • 0029999886 scopus 로고    scopus 로고
    • HIV inhibitory natural products. 26. Quinoline alkaloids from Euodia roxburghiana
    • McCormick, J.L.; McKee, T.C.; Cardellina, J.H.; Boyd, M.R. HIV inhibitory natural products. 26. Quinoline alkaloids from Euodia roxburghiana. J. Nat. Prod. 1996, 59, 469-471.
    • (1996) J. Nat. Prod. , vol.59 , pp. 469-471
    • McCormick, J.L.1    McKee, T.C.2    Cardellina, J.H.3    Boyd, M.R.4
  • 66
    • 84872382324 scopus 로고    scopus 로고
    • Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin
    • Bai, L.P.; Ho, H.M.; Ma, D.L.; Yang, H.; Fu, W.C.; Jiang, Z.H. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One 2013, 8, e53962.
    • (2013) PLoS One , vol.8
    • Bai, L.P.1    Ho, H.M.2    Ma, D.L.3    Yang, H.4    Fu, W.C.5    Jiang, Z.H.6
  • 67
    • 3042824901 scopus 로고    scopus 로고
    • Membrane-related effects underlying the biological activity of the anthraquinones emodin and barbaloin
    • Alves, D.S.; Perez-Fons, L.; Estepa, A.; Micol, V. Membrane-related effects underlying the biological activity of the anthraquinones emodin and barbaloin. Biochem. Pharmacol. 2004, 68, 549-561.
    • (2004) Biochem. Pharmacol. , vol.68 , pp. 549-561
    • Alves, D.S.1    Perez-Fons, L.2    Estepa, A.3    Micol, V.4
  • 69
    • 31544446381 scopus 로고    scopus 로고
    • Trisubstituted acridines as G-quadruplex telomere targeting agents. Effects of extensions of the 3,6- and 9-side chains on quadruplex binding, telomerase activity, and cell proliferation
    • Moore, M.J.; Schultes, C.M.; Cuesta, J.; Cuenca, F.; Gunaratnam, M.; Tanious, F.A.; Wilson, W.D.; Neidle, S. Trisubstituted acridines as G-quadruplex telomere targeting agents. Effects of extensions of the 3,6- and 9-side chains on quadruplex binding, telomerase activity, and cell proliferation. J. Med. Chem. 2006, 49, 582-599.
    • (2006) J. Med. Chem. , vol.49 , pp. 582-599
    • Moore, M.J.1    Schultes, C.M.2    Cuesta, J.3    Cuenca, F.4    Gunaratnam, M.5    Tanious, F.A.6    Wilson, W.D.7    Neidle, S.8
  • 70
    • 16844375686 scopus 로고    scopus 로고
    • Chemical approaches to the discovery and development of cancer therapies
    • Neidle, S.; Thurston, D.E. Chemical approaches to the discovery and development of cancer therapies. Nat. Rev. Cancer 2005, 5, 285-296.
    • (2005) Nat. Rev. Cancer , vol.5 , pp. 285-296
    • Neidle, S.1    Thurston, D.E.2
  • 71
    • 0242691743 scopus 로고    scopus 로고
    • Tetrahydro-beta-carboline alkaloids occur in fruits and fruit juices. Activity as antioxidants and radical scavengers
    • Herraiz, T.; Galisteo, J. Tetrahydro-beta-carboline alkaloids occur in fruits and fruit juices. Activity as antioxidants and radical scavengers. J. Agric. Food Chem. 2003, 51, 7156-7161.
    • (2003) J. Agric. Food Chem. , vol.51 , pp. 7156-7161
    • Herraiz, T.1    Galisteo, J.2
  • 72
    • 34547679653 scopus 로고    scopus 로고
    • Antioxidant properties of beta-carboline alkaloids are related to their antimutagenic and antigenotoxic activities
    • Moura, D.J.; Richter, M.F.; Boeira, J.M.; Pêgas Henriques, J.A.; Saffi, J. Antioxidant properties of beta-carboline alkaloids are related to their antimutagenic and antigenotoxic activities. Mutagenesis 2007, 22, 293-302.
    • (2007) Mutagenesis , vol.22 , pp. 293-302
    • Moura, D.J.1    Richter, M.F.2    Boeira, J.M.3    Pêgas Henriques, J.A.4    Saffi, J.5
  • 73
    • 84872872093 scopus 로고    scopus 로고
    • (3S)-1,2,3,4-Tetrahydro-β- carboline-3-carboxylic acid from Cichorium endivia. L induces apoptosis of human colorectal cancer HCT-8 cells
    • Wang, F.X.; Deng, A.J.; Li, M.; Wei, J.F.; Qin, H.L.; Wang, A.P. (3S)-1,2,3,4-Tetrahydro-β- carboline-3-carboxylic acid from Cichorium endivia. L induces apoptosis of human colorectal cancer HCT-8 cells. Molecules 2012, 18, 418-429.
    • (2012) Molecules , vol.18 , pp. 418-429
    • Wang, F.X.1    Deng, A.J.2    Li, M.3    Wei, J.F.4    Qin, H.L.5    Wang, A.P.6
  • 74
    • 33646513291 scopus 로고    scopus 로고
    • Purification and characterization of hydrosoluble components from the sap of Chinese lacquer tree Rhus vernici fera
    • Wan, Y.Y.; Du, Y.M.; Yang, F.X.; Xu, Y.; Chen, R.Z.; Kennedy, J.F. Purification and characterization of hydrosoluble components from the sap of Chinese lacquer tree Rhus vernici fera. Int. J. Biol. Macromol. 2006, 38, 232-240.
    • (2006) Int. J. Biol. Macromol. , vol.38 , pp. 232-240
    • Wan, Y.Y.1    Du, Y.M.2    Yang, F.X.3    Xu, Y.4    Chen, R.Z.5    Kennedy, J.F.6
  • 75
    • 71549172492 scopus 로고    scopus 로고
    • Butein suppresses c-Myc-dependent transcription and Akt-dependent phosphorylation of hTERT in human leukemia cells
    • Moon, D.O.; Kim, M.O.; Lee, J.D.; Choi, Y.H.; Kim, G.Y. Butein suppresses c-Myc-dependent transcription and Akt-dependent phosphorylation of hTERT in human leukemia cells. Cancer Lett. 2009, 286, 172-179.
    • (2009) Cancer Lett. , vol.286 , pp. 172-179
    • Moon, D.O.1    Kim, M.O.2    Lee, J.D.3    Choi, Y.H.4    Kim, G.Y.5
  • 78
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
    • Weininger, D. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J. Chem. Inf. Model. 1988, 28, 31-36.
    • (1988) J. Chem. Inf. Model. , vol.28 , pp. 31-36
    • Weininger, D.1
  • 79
    • 0024664539 scopus 로고
    • SMILES. 2. Algorithm for generation of unique SMILES notation
    • Weininger, D.; Weininger, A.; Weininger, J. L. SMILES. 2. Algorithm for generation of unique SMILES notation. J. Chem. Inf. Model. 1989, 29, 97-101.
    • (1989) J. Chem. Inf. Model. , vol.29 , pp. 97-101
    • Weininger, D.1    Weininger, A.2    Weininger, J.L.3
  • 80
    • 41349106585 scopus 로고    scopus 로고
    • Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection-What can we learn from earlier mistakes?
    • Kirchmair, J.; Markt, P.; Distinto, S.; Wolber, G.; Langer, T. Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection-What can we learn from earlier mistakes? J. Comput. Aided Mol. Des. 2008, 22, 213-228.
    • (2008) J. Comput. Aided Mol. Des. , vol.22 , pp. 213-228
    • Kirchmair, J.1    Markt, P.2    Distinto, S.3    Wolber, G.4    Langer, T.5
  • 81
    • 13844312649 scopus 로고    scopus 로고
    • ZINC-A free database of commercially available compounds for virtual screening
    • Irwin, J.J.; Shoichet, B.K. ZINC-A free database of commercially available compounds for virtual screening. J. Chem. Inf. Model. 2005, 45, 177-182.
    • (2005) J. Chem. Inf. Model. , vol.45 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 82
    • 5544242529 scopus 로고    scopus 로고
    • MMFF VI. MMFF94s option for energy minimization studies
    • Halgren, T.A. MMFF VI. MMFF94s option for energy minimization studies. J. Comput. Chem. 1999, 20, 720-729.
    • (1999) J. Comput. Chem. , vol.20 , pp. 720-729
    • Halgren, T.A.1
  • 83
    • 0344778061 scopus 로고
    • Semianalytical treatment of solvation for molecular mechanics and dynamics
    • Still, W.C.; Tempczyk, A.; Hawley, R.C.; Hen-drickson, T. Semianalytical treatment of solvation for molecular mechanics and dynamics. J. Am. Chem. Soc. 1990, 112, 6127-6129.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 6127-6129
    • Still, W.C.1    Tempczyk, A.2    Hawley, R.C.3    Hen-Drickson, T.4
  • 84
    • 84886614159 scopus 로고    scopus 로고
    • (accessed on July)
    • Ambinter Natural Products. Available online: http://www.ambinter.com (accessed on July 2013).
    • (2013) Ambinter Natural Products
  • 85
    • 84886616910 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Analyti Con Discovery NP. Available online: http://www.ac-discovery.com (accessed on 18 September 2013).
    • (2013) Analyti Con Discovery NP
  • 86
    • 84886625469 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • IBScreen NP. Available online: http://www.ibscreen.com (accessed on 18 September 2013).
    • (2013) IBScreen NP
  • 87
    • 84886614589 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Indofine Natural Products. Available online: http://www.indofinechemical. com (accessed on 18 September 2013).
    • (2013) Indofine Natural Products
  • 89
    • 84886606819 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Nubbe Natural Products. Available online: http://nubbe.iq.unesp.br (accessed on 18 September 2013).
    • (2013) Nubbe Natural Products
  • 90
    • 84886617640 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Princeton NP. Available online: http://www.princetonbio.com (accessed on 18 September 2013).
    • (2013)
    • Princeton, N.P.1
  • 91
    • 84886619731 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Selleck BioChemicals NP. Available online: http://www.selleckbio.com (accessed on 18 September 2013).
    • (2013) Selleck BioChemicals NP.
  • 92
    • 84886623124 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Specs Natural Products. Available online: http://www.specs.net (accessed on 18 September 2013).
    • (2013) Specs Natural Products
  • 93
    • 84886604693 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • TCM Database@Taiwan. Available online: http://tcm.cmu.edu.tw (accessed on 18 September 2013).
    • (2013) TCM Database@Taiwan
  • 94
    • 84886625549 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • UEFS Natural Products. Available online: http://www.uefs.br (accessed on 18 September 2013).
    • (2013) UEFS Natural Products
  • 95
    • 84924149976 scopus 로고    scopus 로고
    • (accessed on 18 September)
    • Chem Axon. Available online: http://www.chemaxon.com (accessed on 18 September 2013).
    • (2013) Chem Axon
  • 96
    • 77951986384 scopus 로고    scopus 로고
    • Conformer generation with OMEGA: Algorithm and validation using high quality structures from the Protein Data Bank and Cambridge Structural Database
    • Hawkins, P.C.D.; Skillman, A.G.; Warren, G.L.; Ellingson, B.A.; Stahl, M.T. Conformer generation with OMEGA: Algorithm and validation using high quality structures from the Protein Data Bank and Cambridge Structural Database. J. Chem. Inf. Model. 2010, 50, 572-584.
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 572-584
    • Hawkins, P.C.D.1    Skillman, A.G.2    Warren, G.L.3    Ellingson, B.A.4    Stahl, M.T.5
  • 97
    • 84869987609 scopus 로고    scopus 로고
    • Conformer generation with OMEGA: Learning from the data set and the analysis of failures
    • Hawkins, P.C.D.; Nicholls, A. Conformer generation with OMEGA: Learning from the data set and the analysis of failures. J. Chem. Inf. Model. 2012, 52, 2919-2936.
    • (2012) J. Chem. Inf. Model. , vol.52 , pp. 2919-2936
    • Hawkins, P.C.D.1    Nicholls, A.2
  • 98
    • 84886616091 scopus 로고    scopus 로고
    • version 9.4; Schrödinger, LLC, New York, NY, USA
    • Maestro Graphics User Interface, version 9.4; Schrödinger, LLC, New York, NY, USA, 2013.
    • (2013) Maestro Graphics User Interface


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