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Volumn 16, Issue 2, 2014, Pages

QSAR model for cytotoxicity of SiO2 nanoparticles on human lung fibroblasts

Author keywords

CORAL software; Health effects; Modeling and simulation; Optimal descriptor; QSAR; SiO2 nanoparticle

Indexed keywords


EID: 84893181595     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-014-2282-9     Document Type: Article
Times cited : (20)

References (49)
  • 1
    • 60149104848 scopus 로고    scopus 로고
    • A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas
    • 10.1016/j.ejmech.2008.05.028
    • Afantitis A, Melagraki G, Sarimveis H, Igglessi-Markopoulou O, Kollias G (2009) A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas. Eur J Med Chem 44:877-884
    • (2009) Eur J Med Chem , vol.44 , pp. 877-884
    • Afantitis, A.1    Melagraki, G.2    Sarimveis, H.3    Igglessi-Markopoulou, O.4    Kollias, G.5
  • 2
    • 79151478389 scopus 로고    scopus 로고
    • Ligand-based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks
    • 10.1016/j.ejmech.2010.11.029
    • Afantitis A, Melagraki G, Koutentis PA, Sarimveis H, Kollias G (2011) Ligand-based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks. Eur J Med Chem 46:497-508
    • (2011) Eur J Med Chem , vol.46 , pp. 497-508
    • Afantitis, A.1    Melagraki, G.2    Koutentis, P.A.3    Sarimveis, H.4    Kollias, G.5
  • 6
    • 79951931261 scopus 로고    scopus 로고
    • Relation between second and third geometric-arithmetic indices of trees
    • 10.1002/cem.1342
    • Furtula B, Gutman I (2011) Relation between second and third geometric-arithmetic indices of trees. J Chemometr 25:87-91
    • (2011) J Chemometr , vol.25 , pp. 87-91
    • Furtula, B.1    Gutman, I.2
  • 8
    • 80053909411 scopus 로고    scopus 로고
    • A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases
    • 10.1016/j.jmgm.2011.07.007
    • García J, Duchowicz PR, Rozas MF, Caram JA, Mirífico MV, Fernández FM, Castro EA (2011) A comparative QSAR on 1,2,5- thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases. J Mol Graph Model 31:10-19
    • (2011) J Mol Graph Model , vol.31 , pp. 10-19
    • García, J.1    Duchowicz, P.R.2    Rozas, M.F.3    Caram, J.A.4    Mirífico, M.V.5    Fernández, F.M.6    Castro, E.A.7
  • 10
    • 12344311389 scopus 로고    scopus 로고
    • QSPR calculation of normal boiling points of organic molecules based on the use of correlation weighting of atomic orbitals with extended connectivity of zero- and first-order graphs of atomic orbitals
    • 10.3390/91201019
    • González MP, Toropov AA, Duchowicz PR, Castro EA (2004) QSPR calculation of normal boiling points of organic molecules based on the use of correlation weighting of atomic orbitals with extended connectivity of zero- and first-order graphs of atomic orbitals. Molecules 9:1019-1033
    • (2004) Molecules , vol.9 , pp. 1019-1033
    • González, M.P.1    Toropov, A.A.2    Duchowicz, P.R.3    Castro, E.A.4
  • 11
    • 32244442190 scopus 로고    scopus 로고
    • On reducing correlations between topological indices
    • Hollas B, Gutman I, Trinajstić N (2005) On reducing correlations between topological indices. Croat Chem Acta 78:489-492
    • (2005) Croat Chem Acta , vol.78 , pp. 489-492
    • Hollas, B.1    Gutman, I.2    Trinajstić, N.3
  • 13
    • 33746217562 scopus 로고    scopus 로고
    • Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR)
    • 10.1007/s11030-005-9003-3
    • Ivanciuc T, Ivanciuc O, Klein DJ (2006) Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR). Mol Divers 10:133-145
    • (2006) Mol Divers , vol.10 , pp. 133-145
    • Ivanciuc, T.1    Ivanciuc, O.2    Klein, D.J.3
  • 14
    • 77956425677 scopus 로고    scopus 로고
    • Bionanoscience: Nano meets bio at the interface
    • 10.1038/nnano.2010.182
    • Leszczynski J (2010) Bionanoscience: Nano meets bio at the interface. Nat Nanotech 5:633-634
    • (2010) Nat Nanotech , vol.5 , pp. 633-634
    • Leszczynski, J.1
  • 15
    • 84876240353 scopus 로고    scopus 로고
    • P-glycoprotein targeted nanoscale drug carriers
    • 10.1166/jnn.2013.6084
    • Li W, Samra DA, Merzaban J, Khashab NM (2013) P-glycoprotein targeted nanoscale drug carriers. J Nanosci Nanotech 13:1399-1402
    • (2013) J Nanosci Nanotech , vol.13 , pp. 1399-1402
    • Li, W.1    Samra, D.A.2    Merzaban, J.3    Khashab, N.M.4
  • 17
    • 79957955446 scopus 로고    scopus 로고
    • Ligand and structure based virtual screening strategies for hit-finding and optimization of Hepatitis C virus (HCV) inhibitors
    • 10.2174/092986711795933759
    • Melagraki G, Afantitis A (2011) Ligand and structure based virtual screening strategies for hit-finding and optimization of Hepatitis C virus (HCV) inhibitors. Curr Med Chem 18:2612-2619
    • (2011) Curr Med Chem , vol.18 , pp. 2612-2619
    • Melagraki, G.1    Afantitis, A.2
  • 18
    • 78651084814 scopus 로고    scopus 로고
    • In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives
    • 10.1111/j.1747-0285.2010.01029.x
    • Melagraki G, Afantitis A, Sarimveis H, Igglessi-Markopoulou O, Koutentis PA, Kollias G (2010) In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives. Chem Biol Drug Des 76:397-406
    • (2010) Chem Biol Drug des , vol.76 , pp. 397-406
    • Melagraki, G.1    Afantitis, A.2    Sarimveis, H.3    Igglessi-Markopoulou, O.4    Koutentis, P.A.5    Kollias, G.6
  • 19
    • 79959795631 scopus 로고    scopus 로고
    • QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents
    • 10.1016/j.chemolab.2011.04.011
    • Mullen LMA, Duchowicz PR, Castro EA (2011) QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents. Chemometr Intell Lab Syst 107:269-275
    • (2011) Chemometr Intell Lab Syst , vol.107 , pp. 269-275
    • Mullen, L.M.A.1    Duchowicz, P.R.2    Castro, E.A.3
  • 21
    • 79955650139 scopus 로고    scopus 로고
    • Further exploring rm 2 metrics for validation of QSPR models
    • 10.1016/j.chemolab.2011.03.011
    • Ojha PK, Mitra I, Das RN, Roy K (2011) Further exploring rm 2 metrics for validation of QSPR models. Chemometr Intell Lab Syst 107:194-205
    • (2011) Chemometr Intell Lab Syst , vol.107 , pp. 194-205
    • Ojha, P.K.1    Mitra, I.2    Das, R.N.3    Roy, K.4
  • 23
    • 80051588636 scopus 로고    scopus 로고
    • Improved model for fullerene C 60 solubility in organic solvents based on quantum-chemical and topological descriptors
    • 10.1007/s11051-011-0238-x
    • Petrova T, Rasulev BF, Toropov AA, Leszczynska D, Leszczynski J (2011) Improved model for fullerene C 60 solubility in organic solvents based on quantum-chemical and topological descriptors. J Nanopart Res 13:3235-3247
    • (2011) J Nanopart Res , vol.13 , pp. 3235-3247
    • Petrova, T.1    Rasulev, B.F.2    Toropov, A.A.3    Leszczynska, D.4    Leszczynski, J.5
  • 24
    • 73349083717 scopus 로고    scopus 로고
    • Toward the development of "nano-QSARs": Advances and challenges
    • 10.1002/smll.200900179
    • Puzyn T, Leszczynska D, Leszczynski J (2009) Toward the development of "Nano-QSARs": advances and challenges. Small 5:2494-2509
    • (2009) Small , vol.5 , pp. 2494-2509
    • Puzyn, T.1    Leszczynska, D.2    Leszczynski, J.3
  • 26
    • 33646249822 scopus 로고    scopus 로고
    • QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants
    • 10.1007/s00894-004-0224-7
    • Roy K, Toropov AA (2005) QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants. J Mol Model 11:89-96
    • (2005) J Mol Model , vol.11 , pp. 89-96
    • Roy, K.1    Toropov, A.A.2
  • 27
    • 78349253077 scopus 로고    scopus 로고
    • Comparative study of predictive computational models for nanoparticle-induced cytotoxicity
    • 10.1111/j.1539-6924.2010.01438.x
    • Sayes C, Ivanov I (2010) Comparative study of predictive computational models for nanoparticle-induced cytotoxicity. Risk Anal 30:1723-1734
    • (2010) Risk Anal , vol.30 , pp. 1723-1734
    • Sayes, C.1    Ivanov, I.2
  • 29
    • 34548442080 scopus 로고    scopus 로고
    • SMILES in QSPR/QSAR modeling: Results and perspectives
    • 10.2174/157016307781483432
    • Toropov AA, Benfenati E (2007) SMILES in QSPR/QSAR modeling: results and perspectives. Curr Drug Discov Technol 4:77-116
    • (2007) Curr Drug Discov Technol , vol.4 , pp. 77-116
    • Toropov, A.A.1    Benfenati, E.2
  • 30
    • 33845296955 scopus 로고    scopus 로고
    • A new approach to the characterization of nanomaterials: Predicting Young's modulus by correlation weighting of nanomaterials codes
    • 10.1016/j.cplett.2006.11.010
    • Toropov AA, Leszczynski J (2006) A new approach to the characterization of nanomaterials: predicting Young's modulus by correlation weighting of nanomaterials codes. Chem Phys Lett 433:125-129
    • (2006) Chem Phys Lett , vol.433 , pp. 125-129
    • Toropov, A.A.1    Leszczynski, J.2
  • 31
    • 0033238594 scopus 로고    scopus 로고
    • Quantitative structure-property relationships for binary polymer-solvent systems: Correlation weighing of the local invariants of molecular graphs
    • Toropov AA, Voropaeva NL, Ruban IN, Rashidova SSh (1999) Quantitative structure-property relationships for binary polymer-solvent systems: Correlation weighing of the local invariants of molecular graphs. Polymer Sci A 41:975-985
    • (1999) Polymer Sci A , vol.41 , pp. 975-985
    • Toropov, A.A.1    Voropaeva, N.L.2    Ruban, I.N.3    Rashidova, S.4
  • 32
    • 0042233897 scopus 로고    scopus 로고
    • Modeling of activity of monomers in radical copolymerization by optimization of correlation weights of local graph invariants
    • Toropov AA, Kudyshkin VO, Voropaeva NL, Ruban IN, Rashidova SSh (2001) Modeling of activity of monomers in radical copolymerization by optimization of correlation weights of local graph invariants. Polymer Sci B 43:116-119
    • (2001) Polymer Sci B , vol.43 , pp. 116-119
    • Toropov, A.A.1    Kudyshkin, V.O.2    Voropaeva, N.L.3    Ruban, I.N.4    Rashidova, S.5
  • 33
    • 25144449545 scopus 로고    scopus 로고
    • QSPR modeling of the reactivity parameters of monomers in radical copolymerizations
    • 10.1007/s10947-005-0084-8
    • Toropov AA, Kudyshkin VO, Voropaeva NL, Ruban IN, Rashidova SSh (2004) QSPR modeling of the reactivity parameters of monomers in radical copolymerizations. J Struct Chem 45:945-950
    • (2004) J Struct Chem , vol.45 , pp. 945-950
    • Toropov, A.A.1    Kudyshkin, V.O.2    Voropaeva, N.L.3    Ruban, I.N.4    Rashidova, S.5
  • 34
    • 28244474463 scopus 로고    scopus 로고
    • Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)
    • Toropov AA, Toropova AP, Mukhamedzhanova DV, Gutman I (2005) Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR). Indian J Chem A 44:1545-1552
    • (2005) Indian J Chem A , vol.44 , pp. 1545-1552
    • Toropov, A.A.1    Toropova, A.P.2    Mukhamedzhanova, D.V.3    Gutman, I.4
  • 35
    • 34250628511 scopus 로고    scopus 로고
    • QSAR modeling of acute toxicity for nitrobenzene derivatives towards rats: Comparative analysis by MLRA and optimal descriptors
    • 10.1002/qsar.200610135
    • Toropov AA, Rasulev BF, Leszczynski J (2007a) QSAR modeling of acute toxicity for nitrobenzene derivatives towards rats: comparative analysis by MLRA and optimal descriptors. QSAR Comb Sci 26:686-693
    • (2007) QSAR Comb Sci , vol.26 , pp. 686-693
    • Toropov, A.A.1    Rasulev, B.F.2    Leszczynski, J.3
  • 36
    • 34548437988 scopus 로고    scopus 로고
    • Predicting thermal conductivity of nanomaterials by correlation weighting technological attributes codes
    • 10.1016/j.matlet.2007.03.026
    • Toropov AA, Leszczynska D, Leszczynski J (2007b) Predicting thermal conductivity of nanomaterials by correlation weighting technological attributes codes. Mater Lett 61:4777-4780
    • (2007) Mater Lett , vol.61 , pp. 4777-4780
    • Toropov, A.A.1    Leszczynska, D.2    Leszczynski, J.3
  • 37
    • 41249089633 scopus 로고    scopus 로고
    • QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES
    • 10.1016/j.ejmech.2007.05.007
    • Toropov AA, Toropova AP, Raska I Jr (2008a) QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES. Eur J Med Chem 43:714-740
    • (2008) Eur J Med Chem , vol.43 , pp. 714-740
    • Toropov, A.A.1    Toropova, A.P.2    Raska, Jr.I.3
  • 38
    • 48949091001 scopus 로고    scopus 로고
    • QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors
    • 10.1016/j.cplett.2008.07.027
    • Toropov AA, Toropova AP, Benfenati E (2008b) QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors. Chem Phys Lett 461:343-347
    • (2008) Chem Phys Lett , vol.461 , pp. 343-347
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3
  • 39
    • 44449147785 scopus 로고    scopus 로고
    • QSAR modeling of acute toxicity by balance of correlations
    • 10.1016/j.bmc.2008.04.055
    • Toropov AA, Rasulev BF, Leszczynski J (2008c) QSAR modeling of acute toxicity by balance of correlations. Bioorg Med Chem 16:5999-6008
    • (2008) Bioorg Med Chem , vol.16 , pp. 5999-6008
    • Toropov, A.A.1    Rasulev, B.F.2    Leszczynski, J.3
  • 40
    • 68349135029 scopus 로고    scopus 로고
    • QSAR modelling of carcinogenicity by balance of correlations
    • 10.1007/s11030-009-9113-4
    • Toropov AA, Toropova AP, Benfenati E, Manganaro A (2009a) QSAR modelling of carcinogenicity by balance of correlations. Mol Divers 13:367-373
    • (2009) Mol Divers , vol.13 , pp. 367-373
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3    Manganaro, A.4
  • 41
    • 70350155717 scopus 로고    scopus 로고
    • Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in organic solvents
    • 10.1007/s10910-008-9514-0
    • Toropov AA, Toropova AP, Benfenati E, Leszczynska D, Leszczynski J (2009b) Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in organic solvents. J Math Chem 46:1232-1251
    • (2009) J Math Chem , vol.46 , pp. 1232-1251
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3    Leszczynska, D.4    Leszczynski, J.5
  • 42
    • 70350162335 scopus 로고    scopus 로고
    • QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors
    • 10.1007/s10910-008-9491-3
    • Toropov AA, Toropova AP, Benfenati E (2009c) QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors. J Math Chem 46:1060-1073
    • (2009) J Math Chem , vol.46 , pp. 1060-1073
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3
  • 43
    • 77649178981 scopus 로고    scopus 로고
    • InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance
    • 10.1016/j.ejmech.2009.12.037
    • Toropov AA, Toropova AP, Benfenati E, Leszczynska D, Leszczynski J (2010a) InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance. Eur J Med Chem 45:1387-1394
    • (2010) Eur J Med Chem , vol.45 , pp. 1387-1394
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3    Leszczynska, D.4    Leszczynski, J.5
  • 44
    • 77149132511 scopus 로고    scopus 로고
    • QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors
    • 10.1007/s11030-009-9156-6
    • Toropov AA, Toropova AP, Benfenati E (2010b) QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors. Mol Divers 14:183-192
    • (2010) Mol Divers , vol.14 , pp. 183-192
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3
  • 45
    • 76149114231 scopus 로고    scopus 로고
    • SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations
    • Toropov AA, Toropova AP, Benfenati E, Leszczynska D, Leszczynski J (2010c) SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J Comput Chem 31:381-392
    • (2010) J Comput Chem , vol.31 , pp. 381-392
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3    Leszczynska, D.4    Leszczynski, J.5
  • 46
    • 79951960171 scopus 로고    scopus 로고
    • Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: An unexpected good prediction based on a model that seems untrustworthy
    • 10.1016/j.chemolab.2010.12.007
    • Toropova AP, Toropov AA, Benfenati E, Gini G (2011a) Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: an unexpected good prediction based on a model that seems untrustworthy. Chemometr Intell Lab Syst 105:215-219
    • (2011) Chemometr Intell Lab Syst , vol.105 , pp. 215-219
    • Toropova, A.P.1    Toropov, A.A.2    Benfenati, E.3    Gini, G.4
  • 48
    • 84883786578 scopus 로고    scopus 로고
    • Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems
    • 10.1007/s10910-013-0211-2
    • Toropova AP, Toropov AA, Puzyn T, Benfenati E, Leszczynska D, Leszczynski J (2013) Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems. J Math Chem 51:2230-2237
    • (2013) J Math Chem , vol.51 , pp. 2230-2237
    • Toropova, A.P.1    Toropov, A.A.2    Puzyn, T.3    Benfenati, E.4    Leszczynska, D.5    Leszczynski, J.6
  • 49
    • 84858860290 scopus 로고    scopus 로고
    • 2 nanoparticles on HFL-I activating ROS-mediated apoptosis via p53 pathway
    • 10.1002/jat.1710
    • 2 nanoparticles on HFL-I activating ROS-mediated apoptosis via p53 pathway. J Appl Toxicol 32:358-364
    • (2012) J Appl Toxicol , vol.32 , pp. 358-364
    • Xu, Z.1    Chou, L.2    Sun, J.3


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