메뉴 건너뛰기




Volumn 89, Issue 9, 2012, Pages 1098-1102

Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli

Author keywords

CORAL software; Cytotoxicity to bacterium Escherichia coli; Metal oxide nanoparticle; QSAR

Indexed keywords

APPLICATION PROGRAMS; COMPUTATIONAL CHEMISTRY; CYTOTOXICITY; ESCHERICHIA COLI; METALLIC COMPOUNDS; METALS; MOLECULAR GRAPHICS;

EID: 84865704741     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2012.05.077     Document Type: Article
Times cited : (104)

References (20)
  • 1
    • 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 Networks
    • Afantitis A., Melagraki G., Koutentis P.A., Srimveis H., Kollias G. Ligand-based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Networks. Eur. J. Med. Chem. 2011, 46:497-508.
    • (2011) Eur. J. Med. Chem. , vol.46 , pp. 497-508
    • Afantitis, A.1    Melagraki, G.2    Koutentis, P.A.3    Srimveis, H.4    Kollias, G.5
  • 2
    • 23244456052 scopus 로고    scopus 로고
    • Study on supramolecular complexing ability vis-à-vis estimation of pKa of substituted sulfonamides: dominating role of Balaban index (J)
    • Balaban A.T., Khadikar P.V., Supuran G.T., Thakur A., Thakur M. Study on supramolecular complexing ability vis-à-vis estimation of pKa of substituted sulfonamides: dominating role of Balaban index (J). Bioorg. Med. Chem. 2005, 15:3966-3973.
    • (2005) Bioorg. Med. Chem. , vol.15 , pp. 3966-3973
    • Balaban, A.T.1    Khadikar, P.V.2    Supuran, G.T.3    Thakur, A.4    Thakur, M.5
  • 3
    • 79953869361 scopus 로고    scopus 로고
    • Role of mathematical chemodescriptors and proteomics-based biodescriptors in drug discovery
    • Basak S.C. Role of mathematical chemodescriptors and proteomics-based biodescriptors in drug discovery. Drug Dev. Res. 2011, 72:225-233.
    • (2011) Drug Dev. Res. , vol.72 , pp. 225-233
    • Basak, S.C.1
  • 4
    • 77956975373 scopus 로고    scopus 로고
    • Are mechanistic and statistical QSAR approaches really different? MLR studies on 158 cycloalkyl-pyranones
    • Bhhatarai B., Gang R., Gramatica P. Are mechanistic and statistical QSAR approaches really different? MLR studies on 158 cycloalkyl-pyranones. Mol. Inf. 2010, 29:511-522.
    • (2010) Mol. Inf. , vol.29 , pp. 511-522
    • Bhhatarai, B.1    Gang, R.2    Gramatica, P.3
  • 6
    • 77957561568 scopus 로고    scopus 로고
    • Comparison between first geometric-arithmetic index and atom-bond connectivity index
    • Das K.Ch., Trinajstic N. Comparison between first geometric-arithmetic index and atom-bond connectivity index. Chem. Phys. Lett. 2010, 497:140-151.
    • (2010) Chem. Phys. Lett. , vol.497 , pp. 140-151
    • Das, K.1    Trinajstic, N.2
  • 7
    • 78650927429 scopus 로고    scopus 로고
    • Quantitative structure - spectral property relationships for functional groups of novel 1,2,5-thiadiazole compounds
    • Duchowicz P.R., Mirifico M.V., Rozas M.F., Caram J.A., Fernandes F.M., Castro E.A. Quantitative structure - spectral property relationships for functional groups of novel 1,2,5-thiadiazole compounds. Chemom. Intell. Lab. 2011, 105:27-37.
    • (2011) Chemom. Intell. Lab. , vol.105 , pp. 27-37
    • Duchowicz, P.R.1    Mirifico, M.V.2    Rozas, M.F.3    Caram, J.A.4    Fernandes, F.M.5    Castro, E.A.6
  • 8
    • 40949159249 scopus 로고    scopus 로고
    • An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis
    • Enoch S.J., Cronin M.T.D., Schultz T.W., Madden J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71:1225-1232.
    • (2008) Chemosphere , vol.71 , pp. 1225-1232
    • Enoch, S.J.1    Cronin, M.T.D.2    Schultz, T.W.3    Madden, J.C.4
  • 9
    • 79951931261 scopus 로고    scopus 로고
    • Relation between second and third geometric-arithmetic indices of trees
    • Furtula B., Gutman I. Relation between second and third geometric-arithmetic indices of trees. J. Chemom. 2011, 25:87-91.
    • (2011) J. Chemom. , vol.25 , pp. 87-91
    • Furtula, B.1    Gutman, I.2
  • 10
    • 33746217562 scopus 로고    scopus 로고
    • Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR)
    • Ivanciuc T., Ivanciuc O., Klein D.J. Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR). Mol. Diversity 2006, 10:133-145.
    • (2006) Mol. Diversity , vol.10 , pp. 133-145
    • Ivanciuc, T.1    Ivanciuc, O.2    Klein, D.J.3
  • 11
  • 12
    • 77956425677 scopus 로고    scopus 로고
    • Nano meets bio at the interface
    • Leszczynski J. Nano meets bio at the interface. Nat. Nanotechnol. 2010, 5:633-634.
    • (2010) Nat. Nanotechnol. , vol.5 , pp. 633-634
    • Leszczynski, J.1
  • 13
    • 78649543896 scopus 로고    scopus 로고
    • Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants
    • Mitra I., Saha A., Roy K. Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants. Mol. Simul. 2010, 13:1067-1079.
    • (2010) Mol. Simul. , vol.13 , pp. 1067-1079
    • Mitra, I.1    Saha, A.2    Roy, K.3
  • 15
    • 0026073222 scopus 로고
    • Novel graph theoretical approach to heteroatoms in quantitative structure-activity relationships
    • Randic M. Novel graph theoretical approach to heteroatoms in quantitative structure-activity relationships. Chemom. Intell. Lab. 1991, 10:213-227.
    • (1991) Chemom. Intell. Lab. , vol.10 , pp. 213-227
    • Randic, M.1
  • 16
    • 44649190610 scopus 로고    scopus 로고
    • Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods
    • Tetko I.V., Jaroszewicz I., Platts J.A., Kuduk-Jaworska J. Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods. J. Inorg. Biochem. 2008, 102:1224-1237.
    • (2008) J. Inorg. Biochem. , vol.102 , pp. 1224-1237
    • Tetko, I.V.1    Jaroszewicz, I.2    Platts, J.A.3    Kuduk-Jaworska, J.4
  • 17
    • 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 A.A., Toropova A.P., Benfenati E., Leszczynska D., Leszczynski J. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J. Comput. Chem. 2010, 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
  • 18
    • 77649178981 scopus 로고    scopus 로고
    • InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance
    • Toropov A.A., Toropova A.P., Benfenati E., Leszczynska D., Leszczynski J. InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance. Eur. J. Med. Chem. 2010, 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
  • 19
    • 77957370134 scopus 로고    scopus 로고
    • QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL
    • Toropova A.P., Toropov A.A., Benfenati E., Leszczynska D., Leszczynski J. QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL. J. Math. Chem. 2010, 47:959-987.
    • (2010) J. Math. Chem. , vol.47 , pp. 959-987
    • Toropova, A.P.1    Toropov, A.A.2    Benfenati, E.3    Leszczynska, D.4    Leszczynski, J.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.