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Volumn 54, Issue 8, 2013, Pages 668-681

Prediction of noncovalent drug/DNA interaction using computational docking models: Studies with over 1350 launched drugs

Author keywords

Computational docking; DNA intercalation; Noncovalent; Topoisomerase

Indexed keywords

ACEBUTOLOL; ACLARUBICIN; ACRIVASTINE; ADAPALENE; ALFUZOSIN; ALMOTRIPTAN; ALOSETRON; AMRUBICIN; AMSACRINE; ANTHRACYCLINE; ARBIDOL; ARBUTAMINE; ARGATROBAN; ARIPIPRAZOLE; ATOMOXETINE; AZASETRON; AZATADINE; AZELASTINE; BAMBUTEROL; BLEOMYCIN; DACTINOMYCIN; DNA TOPOISOMERASE (ATP HYDROLYSING); ECHINOMYCIN; IDARUBICIN; INTERCALATING AGENT; MENOGARIL; MEPIRODIPINE; N (2 DIMETHYLAMINOETHYL) 4 ACRIDINECARBOXAMIDE; NOGALAMYCIN; UNINDEXED DRUG;

EID: 84885855544     PISSN: 08936692     EISSN: 10982280     Source Type: Journal    
DOI: 10.1002/em.21796     Document Type: Article
Times cited : (22)

References (34)
  • 1
    • 0022400101 scopus 로고
    • Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity
    • Ashby, J. 1985. Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity. Environ Mutagen 7:919-922.
    • (1985) Environ Mutagen , vol.7 , pp. 919-922
    • Ashby, J.1
  • 3
    • 0032839674 scopus 로고    scopus 로고
    • Stimulation of topoisomerase II-mediated DNA cleavage by an indazole analogue of lucanthone
    • Dassonville L, Bailly C. 1999. Stimulation of topoisomerase II-mediated DNA cleavage by an indazole analogue of lucanthone. Biochem Pharmacol 58:1307-1312.
    • (1999) Biochem Pharmacol , vol.58 , pp. 1307-1312
    • Dassonville, L.1    Bailly, C.2
  • 4
    • 34548436087 scopus 로고    scopus 로고
    • Genotoxicity of non-covalent interactions: DNA intercalators
    • Ferguson LR, Denny WA. 2007. Genotoxicity of non-covalent interactions: DNA intercalators. Mutat Res 623:14-23.
    • (2007) Mutat Res , vol.623 , pp. 14-23
    • Ferguson, L.R.1    Denny, W.A.2
  • 5
    • 34548424501 scopus 로고    scopus 로고
    • Small molecule intercalation with double stranded DNA: Implications for normal gene regulation and for predicting the biological efficacy and genotoxicity of drugs and other chemicals
    • Hendry LB, Mahesh VB, Bransome JrED, Ewing DE. 2007. Small molecule intercalation with double stranded DNA: Implications for normal gene regulation and for predicting the biological efficacy and genotoxicity of drugs and other chemicals. Mutat Res 623:53-71.
    • (2007) Mutat Res , vol.623 , pp. 53-71
    • Hendry, L.B.1    Mahesh, V.B.2    Bransome Jr, E.D.3    Ewing, D.E.4
  • 6
    • 79551599136 scopus 로고    scopus 로고
    • Potentiation of the mutagenicity and recombinagenicity of bleomycin in yeast by unconventional intercalating agents
    • Hoffmann GR, Laterza AM, Sylvia KE, Tartaglione JP. 2011. Potentiation of the mutagenicity and recombinagenicity of bleomycin in yeast by unconventional intercalating agents. Environ Mol Mutagen 52:130-144.
    • (2011) Environ Mol Mutagen , vol.52 , pp. 130-144
    • Hoffmann, G.R.1    Laterza, A.M.2    Sylvia, K.E.3    Tartaglione, J.P.4
  • 7
    • 52049120609 scopus 로고    scopus 로고
    • Molecular docking of intercalators and groove-binders to nucleic acids using Autodock and Surflex
    • Holt PA, Chaires JB, Trent JO. 2008. Molecular docking of intercalators and groove-binders to nucleic acids using Autodock and Surflex. J Chem Inf Model 48:1606-1615.
    • (2008) J Chem Inf Model , vol.48 , pp. 1606-1615
    • Holt, P.A.1    Chaires, J.B.2    Trent, J.O.3
  • 8
    • 0031934818 scopus 로고    scopus 로고
    • S-16020-2, a new highly cytotoxic antitumor olivacine derivative: DNA interaction and DNA topoisomerase II inhibition
    • LeMee S, Pierre A, Markovits J, Atassi G, Jacquemin-Sablon A, Saucier J-M. 1998. S-16020-2, a new highly cytotoxic antitumor olivacine derivative: DNA interaction and DNA topoisomerase II inhibition. Molec Pharmacol 53:213-220.
    • (1998) Molec Pharmacol , vol.53 , pp. 213-220
    • LeMee, S.1    Pierre, A.2    Markovits, J.3    Atassi, G.4    Jacquemin-Sablon, A.5    Saucier, J.-M.6
  • 9
    • 34548497418 scopus 로고    scopus 로고
    • Non-covalent ligand/DNA interactions: Minor groove binding agents
    • Nelson SM, Ferguson LR, Denny WA. 2007. Non-covalent ligand/DNA interactions: Minor groove binding agents. Mutat Res 623:24-40.
    • (2007) Mutat Res , vol.623 , pp. 24-40
    • Nelson, S.M.1    Ferguson, L.R.2    Denny, W.A.3
  • 11
    • 33846174381 scopus 로고    scopus 로고
    • QSAR studies and molecular shape analysis of azonafide derivatives as topoisomerase II inhibitors
    • Saravana KR, Moorthy SHN, Trivedi P. 2003. QSAR studies and molecular shape analysis of azonafide derivatives as topoisomerase II inhibitors. Indian J Pharm Sci 65:346-350.
    • (2003) Indian J Pharm Sci , vol.65 , pp. 346-350
    • Saravana, K.R.1    Moorthy, S.H.N.2    Trivedi, P.3
  • 12
    • 58149099516 scopus 로고    scopus 로고
    • In silico functional profiling of small molecules and its applications
    • Sato T, Matsuo Y, Honma T, Yokoyama S. 2008. In silico functional profiling of small molecules and its applications. J Med Chem 51:7705-7716.
    • (2008) J Med Chem , vol.51 , pp. 7705-7716
    • Sato, T.1    Matsuo, Y.2    Honma, T.3    Yokoyama, S.4
  • 13
    • 0032212386 scopus 로고    scopus 로고
    • A review and investigation into the mechanistic basis of the genotoxicity of antihistamines
    • Snyder RD. 1998. A review and investigation into the mechanistic basis of the genotoxicity of antihistamines. Mutat Res 411:235-248.
    • (1998) Mutat Res , vol.411 , pp. 235-248
    • Snyder, R.D.1
  • 14
    • 0034003770 scopus 로고    scopus 로고
    • Use of catalytic topoisomerase II inhibitors to probe mechanisms of chemical induced clastogenicity in Chinese hamster V79 cells
    • Snyder RD. 2000. Use of catalytic topoisomerase II inhibitors to probe mechanisms of chemical induced clastogenicity in Chinese hamster V79 cells. Environ Mol Mutagen 35:13-21.
    • (2000) Environ Mol Mutagen , vol.35 , pp. 13-21
    • Snyder, R.D.1
  • 15
    • 34548456830 scopus 로고    scopus 로고
    • Assessment of atypical DNA intercalating agents in biological and in silico systems
    • Snyder RD. 2007. Assessment of atypical DNA intercalating agents in biological and in silico systems. Mutat Res 623:72-82.
    • (2007) Mutat Res , vol.623 , pp. 72-82
    • Snyder, R.D.1
  • 16
    • 67650752112 scopus 로고    scopus 로고
    • An update on the genotoxicity and carcinogenicity of marketed pharmaceuticals with reference to in silico predictivity
    • Snyder RD. 2009. An update on the genotoxicity and carcinogenicity of marketed pharmaceuticals with reference to in silico predictivity. Environ Mol Mutagen 50:435-450.
    • (2009) Environ Mol Mutagen , vol.50 , pp. 435-450
    • Snyder, R.D.1
  • 17
    • 78349277240 scopus 로고    scopus 로고
    • Possible structural and functional determinants contributing to the clastogenicity of pharmaceuticals
    • Snyder RD. 2010. Possible structural and functional determinants contributing to the clastogenicity of pharmaceuticals. Environ Molec Mutagen 51:800-814.
    • (2010) Environ Molec Mutagen , vol.51 , pp. 800-814
    • Snyder, R.D.1
  • 18
    • 0037134763 scopus 로고    scopus 로고
    • Putative identification of functional interactions between DNA intercalating agents and topooisomerase II using the V79 in vitro micronucleus assay
    • Snyder RD, Arnone MR. 2002. Putative identification of functional interactions between DNA intercalating agents and topooisomerase II using the V79 in vitro micronucleus assay. Mutat Res 503 231-35.
    • (2002) Mutat Res , vol.503 , pp. 231-235
    • Snyder, R.D.1    Arnone, M.R.2
  • 19
    • 0036384072 scopus 로고    scopus 로고
    • Evidence for and role of the dimethylamino group in tamoxifen DNA intercalation in intact Chinese hamster V79 cells
    • Snyder RD, Brown JE. 2002. Evidence for and role of the dimethylamino group in tamoxifen DNA intercalation in intact Chinese hamster V79 cells. Drug Chem Toxicol 25:473-479.
    • (2002) Drug Chem Toxicol , vol.25 , pp. 473-479
    • Snyder, R.D.1    Brown, J.E.2
  • 20
    • 0034124249 scopus 로고    scopus 로고
    • The bleomycin amplification assay in V79 cells predicts frameshift mutagenicity of intercalating agents
    • Snyder RD, Diehl MS. 2000. The bleomycin amplification assay in V79 cells predicts frameshift mutagenicity of intercalating agents. Mutagen 15:203-205.
    • (2000) Mutagen , vol.15 , pp. 203-205
    • Snyder, R.D.1    Diehl, M.S.2
  • 21
    • 33748178209 scopus 로고    scopus 로고
    • DNA intercalative potential of marketed drugs testing positive in in vitro cytogenetics assays
    • Snyder RD, Ewing D, Hendry LB. 2006. DNA intercalative potential of marketed drugs testing positive in in vitro cytogenetics assays. Mutat Res 609:47-59.
    • (2006) Mutat Res , vol.609 , pp. 47-59
    • Snyder, R.D.1    Ewing, D.2    Hendry, L.B.3
  • 22
    • 4043104039 scopus 로고    scopus 로고
    • Evaluation of DNA intercalative potential of pharmaceuticals and other chemicals by cell-based and three-dimensional computational approaches
    • Snyder RD, Ewing DE, Hendry LB. 2004. Evaluation of DNA intercalative potential of pharmaceuticals and other chemicals by cell-based and three-dimensional computational approaches. Environ Mol Mutagen 44:163-173.
    • (2004) Environ Mol Mutagen , vol.44 , pp. 163-173
    • Snyder, R.D.1    Ewing, D.E.2    Hendry, L.B.3
  • 23
    • 0036938075 scopus 로고    scopus 로고
    • Evaluation of the clastogenic, DNA intercalative and topoisomerase II-interactive properties of bioflavonoids in Chinese hamster V79 cells
    • Snyder RD, GIllies PJ. 2002. Evaluation of the clastogenic, DNA intercalative and topoisomerase II-interactive properties of bioflavonoids in Chinese hamster V79 cells. Environ Mol Mutagen 40:266-276.
    • (2002) Environ Mol Mutagen , vol.40 , pp. 266-276
    • Snyder, R.D.1    GIllies, P.J.2
  • 24
    • 0035012857 scopus 로고    scopus 로고
    • A review of the genotoxicity of marketed pharmaceuticals
    • Snyder RD, Green JW. 2001. A review of the genotoxicity of marketed pharmaceuticals. Mutat Res 488:151-169.
    • (2001) Mutat Res , vol.488 , pp. 151-169
    • Snyder, R.D.1    Green, J.W.2
  • 25
    • 17044393134 scopus 로고    scopus 로고
    • Toward a greater appreciation of non-covalent chemical/DNA interactions: Application of biological and computational approaches
    • Snyder RD, Hendry LB. 2005. Toward a greater appreciation of non-covalent chemical/DNA interactions: Application of biological and computational approaches. Environ Mol Mutagen 45:100-105.
    • (2005) Environ Mol Mutagen , vol.45 , pp. 100-105
    • Snyder, R.D.1    Hendry, L.B.2
  • 26
    • 25844472235 scopus 로고    scopus 로고
    • The influence of N-dialkyl and other cationic substituents on DNA intercalation and genotoxicity
    • Snyder RD, McNulty J, Zairov G, Ewing DE, Hendry LB. 2005. The influence of N-dialkyl and other cationic substituents on DNA intercalation and genotoxicity. Mutat Res 578:88-99.
    • (2005) Mutat Res , vol.578 , pp. 88-99
    • Snyder, R.D.1    McNulty, J.2    Zairov, G.3    Ewing, D.E.4    Hendry, L.B.5
  • 27
    • 2442548465 scopus 로고    scopus 로고
    • Assessment of the sensitivity of the computational programs DEREK, TOPKAT and MCASE in prediction of the genotoxicity of pharmaceutical molecules
    • Snyder RD, Pearl GS, Mandakas G, Choy W-N, Goodsaid F, Rosenblum IY. 2004. Assessment of the sensitivity of the computational programs DEREK, TOPKAT and MCASE in prediction of the genotoxicity of pharmaceutical molecules. Environ Mol Mutagen 43:143-158.
    • (2004) Environ Mol Mutagen , vol.43 , pp. 143-158
    • Snyder, R.D.1    Pearl, G.S.2    Mandakas, G.3    Choy, W.-N.4    Goodsaid, F.5    Rosenblum, I.Y.6
  • 28
    • 0032809432 scopus 로고    scopus 로고
    • Enhancement of bleomycin induced micronucleus formation in V79 cells as a rapid and sensitive screen for non-covalent DNA binding compounds
    • Snyder RD, Strekowski L. 1999. Enhancement of bleomycin induced micronucleus formation in V79 cells as a rapid and sensitive screen for non-covalent DNA binding compounds. Mutat Res 444:181-192.
    • (1999) Mutat Res , vol.444 , pp. 181-192
    • Snyder, R.D.1    Strekowski, L.2
  • 29
    • 77949370095 scopus 로고    scopus 로고
    • Cationic side-chains control DNA/RNA binding properties and antiproliferative activity of dicationic dibenzotetraaza[14]annulene derivatives
    • Stojkovic MR, Marjanovic M, Pawlica D, Dudek L, Eilmes J, Kralj M, Piantinida I. 2010. Cationic side-chains control DNA/RNA binding properties and antiproliferative activity of dicationic dibenzotetraaza[14]annulene derivatives. New J Chem 34:500-507.
    • (2010) New J Chem , vol.34 , pp. 500-507
    • Stojkovic, M.R.1    Marjanovic, M.2    Pawlica, D.3    Dudek, L.4    Eilmes, J.5    Kralj, M.6    Piantinida, I.7
  • 32
    • 34548451133 scopus 로고    scopus 로고
    • Noncovalent interactions with DNA: An overview
    • Strekowski L, Wilson B. 2007. Noncovalent interactions with DNA: An overview. Mutat Res 623:3-13.
    • (2007) Mutat Res , vol.623 , pp. 3-13
    • Strekowski, L.1    Wilson, B.2
  • 34
    • 0025189757 scopus 로고
    • Induction of mammalian topoisomerase II dependent DNA cleavage by non-intercalative flavonoids, genistein and orobol
    • Yamashita Y, Kawada S-Z, Nakano H. 1990. Induction of mammalian topoisomerase II dependent DNA cleavage by non-intercalative flavonoids, genistein and orobol. Biochem Pharmacol 39:737-744.
    • (1990) Biochem Pharmacol , vol.39 , pp. 737-744
    • Yamashita, Y.1    Kawada, S.-Z.2    Nakano, H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.