메뉴 건너뛰기




Volumn 43, Issue 3, 1999, Pages 241-251

Applicability of CATALYST in ecotoxicology, a new promising tool for 3D- QSAR: Study of chlorophenols

Author keywords

[No Author keywords available]

Indexed keywords

CHLOROPHENOL;

EID: 0032985623     PISSN: 01476513     EISSN: None     Source Type: Journal    
DOI: 10.1006/eesa.1999.1784     Document Type: Article
Times cited : (23)

References (58)
  • 1
    • 85030356145 scopus 로고    scopus 로고
    • Annexes, I, II, III et IV de la directive 93/21/CEE, portant dix-huitème adaptation au progrès technique de la directive 67/548/CEE (J.O.C.E. L110A du 4 mai 1993).
    • Annexes, I, II, III et IV de la directive 93/21/CEE, portant dix-huitème adaptation au progrès technique de la directive 67/548/CEE (J.O.C.E. L110A du 4 mai 1993).
  • 2
    • 0021337605 scopus 로고
    • Inhibiting action of chloro- And nitrophenols on biodegradation of phenol: A structure-toxicity relationships
    • Beltrame P., Beltrame P. L., Carniti P. Inhibiting action of chloro- and nitrophenols on biodegradation of phenol: A structure-toxicity relationships. Chemosphere. 13:1984;3-9.
    • (1984) Chemosphere , vol.13 , pp. 3-9
    • Beltrame, P.1    Beltrame, P.L.2    Carniti, P.3
  • 3
    • 0024017516 scopus 로고
    • Inhibiting action of chlorophenols on biodegradation of phenol and its correlation with structural properties of inhibitors
    • Beltrame P., Beltrame P. L., Carniti P., Guardione D., Lanzetta C. Inhibiting action of chlorophenols on biodegradation of phenol and its correlation with structural properties of inhibitors. Biotechnol. Bioeng. 31:1988;821-828.
    • (1988) Biotechnol. Bioeng. , vol.31 , pp. 821-828
    • Beltrame, P.1    Beltrame, P.L.2    Carniti, P.3    Guardione, D.4    Lanzetta, C.5
  • 5
    • 0021627094 scopus 로고
    • Chlorophénols: Dégradation et toxicité
    • Benoit-Guyod J. L., Clavel A. C. K. Chlorophénols: Dégradation et toxicité J. Fr. Hydrol. 15:1984;249-263.
    • (1984) J. Fr. Hydrol. , vol.15 , pp. 249-263
    • Benoit-Guyod, J.L.1    Clavel, A.C.K.2
  • 6
    • 0026145959 scopus 로고
    • A database of chemical toxicity to environmental bacteria and its use in interspecies comparisons and correlations
    • Blum D. J. W., Speece R. E. A database of chemical toxicity to environmental bacteria and its use in interspecies comparisons and correlations. Res. J. Water Poll. Contr. Fed. 63:1991;198-207.
    • (1991) Res. J. Water Poll. Contr. Fed. , vol.63 , pp. 198-207
    • Blum, D.J.W.1    Speece, R.E.2
  • 7
    • 0028254686 scopus 로고
    • Comparative molecular field analysis of chlorophenols. Application in ecotoxicology
    • Briens F., Bureau R., Rault S., Robba M. Comparative molecular field analysis of chlorophenols. Application in ecotoxicology. SAR QSAR Environ. Res. 2:1994;147-157.
    • (1994) SAR QSAR Environ. Res. , vol.2 , pp. 147-157
    • Briens, F.1    Bureau, R.2    Rault, S.3    Robba, M.4
  • 8
    • 0029013556 scopus 로고
    • Applicability of CoMFA in ecotoxicology: A critical study on chlorophenols
    • Briens F., Bureau R., Rault S., Robba M. Applicability of CoMFA in ecotoxicology: A critical study on chlorophenols. Ecotoxicol. Environ. Saf. 31:1995;37-48.
    • (1995) Ecotoxicol. Environ. Saf. , vol.31 , pp. 37-48
    • Briens, F.1    Bureau, R.2    Rault, S.3    Robba, M.4
  • 9
    • 0031296719 scopus 로고    scopus 로고
    • Applicability of the free energies of solvation for the prediction of ecotoxicity: Study of chlorophenols
    • Bureau R., Faucon J. C., Faisant J., Briens F., Rault S. Applicability of the free energies of solvation for the prediction of ecotoxicity: Study of chlorophenols. SAR QSAR Environ. Res. 6:1997;163-181.
    • (1997) SAR QSAR Environ. Res. , vol.6 , pp. 163-181
    • Bureau, R.1    Faucon, J.C.2    Faisant, J.3    Briens, F.4    Rault, S.5
  • 10
    • 85030358534 scopus 로고    scopus 로고
    • CATALYST 3.1. San Diego.
    • CATALYST 3.1. 1996, MSI Molecular Simulations, San Diego.
    • (1996) MSI Molecular Simulations
  • 11
    • 85030353248 scopus 로고    scopus 로고
    • CATALYST Online documentation on website
    • CATALYST. 1997. Online documentation on website www.msi.com.
    • (1997)
  • 12
    • 84987104317 scopus 로고
    • The fungitoxicity of chlorophenols to the pathogenic fungi, Fusarium oxysporum and Rhizoctonia solani: A structure-acti relationships study
    • Cohen E., Gamliel A., Katan J. The fungitoxicity of chlorophenols to the pathogenic fungi, Fusarium oxysporum and Rhizoctonia solani: A structure-acti relationships study. Pestic. Sci. 24:1988;139-146.
    • (1988) Pestic. Sci. , vol.24 , pp. 139-146
    • Cohen, E.1    Gamliel, A.2    Katan, J.3
  • 13
    • 0023026964 scopus 로고
    • Acute toxicity and QSAR of chlorophenols on Daphnia magna
    • Devillers J., Chambon P. Acute toxicity and QSAR of chlorophenols on Daphnia magna. Bull. Environ. Contam. Toxicol. 37:1986a;599-605.
    • (1986) Bull. Environ. Contam. Toxicol. , vol.37 , pp. 599-605
    • Devillers, J.1    Chambon, P.2
  • 14
    • 0022917561 scopus 로고
    • Toxicité aiguë chlorophénols sur Daphnia magna. et Brachydanio rerio
    • Devillers J., Chambon P. Toxicité aiguë chlorophénols sur Daphnia magna. et Brachydanio rerio. J. Fr. Hydrol. 17:1986b;111-120.
    • (1986) J. Fr. Hydrol. , vol.17 , pp. 111-120
    • Devillers, J.1    Chambon, P.2
  • 16
    • 0023117590 scopus 로고
    • Utilisation des descripteurs moléculaires d'autocorrélation dans les études quantitatives du type structure-écotoxicité
    • Devillers J., Zakarya D., Chambon P., Chastrette M. Utilisation des descripteurs moléculaires d'autocorrélation dans les études quantitatives du type structure-écotoxicité C. R. Acad. Sc. Paris. 304:1987;195-198.
    • (1987) C. R. Acad. Sc. Paris , vol.304 , pp. 195-198
    • Devillers, J.1    Zakarya, D.2    Chambon, P.3    Chastrette, M.4
  • 17
    • 0024820481 scopus 로고
    • The stochastic regression analysis as a tool in ecotoxicological QSAR studies
    • Devillers J., Zakarya D., Chastrette M., Dore J. C. The stochastic regression analysis as a tool in ecotoxicological QSAR studies. Biomed. Environ. Sci. 2:1989;385-393.
    • (1989) Biomed. Environ. Sci. , vol.2 , pp. 385-393
    • Devillers, J.1    Zakarya, D.2    Chastrette, M.3    Dore, J.C.4
  • 18
    • 85030357179 scopus 로고    scopus 로고
    • Directive du Conseil 92/32/CEE (J.O.C.E. No. L154 du 5 juin 1992), 7ème modification de la directive du Conseil 67/548/CEE du 27 juin 1967 relative à la classification, à l'emballage et à l'étiquetage des substances dangereuses.
    • Directive du Conseil 92/32/CEE (J.O.C.E. No. L154 du 5 juin 1992), 7ème modification de la directive du Conseil 67/548/CEE du 27 juin 1967 relative à la classification, à l'emballage et à l'étiquetage des substances dangereuses.
  • 19
    • 0004241226 scopus 로고
    • Geneva: World health Organization
    • Pentachlorophenol. 1987;World health Organization, Geneva.
    • (1987) Pentachlorophenol
  • 22
    • 0026704074 scopus 로고
    • Application of the group contribution method for predicting the toxicity of organic chemicals
    • Gao C., Govind R., Tabak H. Application of the group contribution method for predicting the toxicity of organic chemicals. Environ. Toxicol. Chem. 11:1992;631-636.
    • (1992) Environ. Toxicol. Chem. , vol.11 , pp. 631-636
    • Gao, C.1    Govind, R.2    Tabak, H.3
  • 24
    • 34250134963 scopus 로고
    • Molecular connectivity of phenols and their toxicity to fish
    • Hall L. H., Kier L. B. Molecular connectivity of phenols and their toxicity to fish. Bull. Environ. Contam. Toxicol. 32:1984;354-362.
    • (1984) Bull. Environ. Contam. Toxicol. , vol.32 , pp. 354-362
    • Hall, L.H.1    Kier, L.B.2
  • 25
    • 0001207951 scopus 로고
    • Structure-activity relationship studies on the toxicities of benzene derivatives: I. An additivity model
    • Hall L. H., Kier L. B., Phipps G. Structure-activity relationship studies on the toxicities of benzene derivatives: I. An additivity model. Environ. Toxicol. Chem. 3:1984;355-365.
    • (1984) Environ. Toxicol. Chem. , vol.3 , pp. 355-365
    • Hall, L.H.1    Kier, L.B.2    Phipps, G.3
  • 26
    • 0025951166 scopus 로고
    • Comparative toxicity and structure-activity in Chlorella and Tetrahymena: Monosubstituted phenols
    • Jaworska J. S., Schultz T. W. Comparative toxicity and structure-activity in Chlorella and Tetrahymena: Monosubstituted phenols. Bull. Environ. Contam. Toxicol. 47:1991;57-62.
    • (1991) Bull. Environ. Contam. Toxicol. , vol.47 , pp. 57-62
    • Jaworska, J.S.1    Schultz, T.W.2
  • 27
    • 0031442297 scopus 로고    scopus 로고
    • Identification of novel farnesyl protein transferase inhibitors using three-dimensional database searching methods
    • Kaminski J. J., Rane D. F., Snow M. E., Weber L., Rothofsky M. L., Anderson S. D., Lin S. L. Identification of novel farnesyl protein transferase inhibitors using three-dimensional database searching methods. J. Med. Chem. 40:1997;4103-4112.
    • (1997) J. Med. Chem. , vol.40 , pp. 4103-4112
    • Kaminski, J.J.1    Rane, D.F.2    Snow, M.E.3    Weber, L.4    Rothofsky, M.L.5    Anderson, S.D.6    Lin, S.L.7
  • 28
    • 0019476112 scopus 로고
    • Quantitative structure-activity relationships in fish toxicity studies. Part 2: The influence of pH on the QSAR on chlorophenols
    • Könemann H., Musch A. Quantitative structure-activity relationships in fish toxicity studies. Part 2: The influence of pH on the QSAR on chlorophenols. Toxicology. 19:1981;223-228.
    • (1981) Toxicology , vol.19 , pp. 223-228
    • Könemann, H.1    Musch, A.2
  • 29
    • 0016283363 scopus 로고
    • Aqueous chlorination and ozonation studies: I. Structure-toxicity correlations of phenolic compounds to Daphnia magna
    • Kopperman H. L., Carlson R. M., Caple R. Aqueous chlorination and ozonation studies: I. Structure-toxicity correlations of phenolic compounds to Daphnia magna. Chem. Biol. Interact. 9:1974;245-251.
    • (1974) Chem. Biol. Interact. , vol.9 , pp. 245-251
    • Kopperman, H.L.1    Carlson, R.M.2    Caple, R.3
  • 30
    • 0020173394 scopus 로고
    • Quantitative structure-toxicity relationship of halogenated phenols on bacteria
    • Liu D., Thomson K., Kaiser K. L. E. Quantitative structure-toxicity relationship of halogenated phenols on bacteria. Bull. Environ. Contam. Toxicol. 29:1982;130-136.
    • (1982) Bull. Environ. Contam. Toxicol. , vol.29 , pp. 130-136
    • Liu, D.1    Thomson, K.2    Kaiser, K.L.E.3
  • 31
    • 0023683307 scopus 로고
    • Multivariate data analysis of various biological test systems used for the quantification of ecotoxic compounds
    • Nendza M., Seydel J. K. Multivariate data analysis of various biological test systems used for the quantification of ecotoxic compounds. Quant. Struct. Act. Relat. 7:1988;165-174.
    • (1988) Quant. Struct. Act. Relat. , vol.7 , pp. 165-174
    • Nendza, M.1    Seydel, J.K.2
  • 32
    • 0025196757 scopus 로고
    • Application of bacterial growth kinetics to in vitro toxicity assessment of substituted phenols and anilines
    • Nendza M., Seydel J. K. Application of bacterial growth kinetics to in vitro toxicity assessment of substituted phenols and anilines. Ecotoxicol. Environ. Saf. 19:1990;228-241.
    • (1990) Ecotoxicol. Environ. Saf. , vol.19 , pp. 228-241
    • Nendza, M.1    Seydel, J.K.2
  • 34
  • 35
    • 0030029151 scopus 로고    scopus 로고
    • Model-based QSAR for ionizable compounds: Toxicity of phenols against Tetrahymena pyriformis
    • Pirselova K., Balaz S., Schultz T. W. Model-based QSAR for ionizable compounds: Toxicity of phenols against Tetrahymena pyriformis. Arch. Environ. Contam. Toxicol. 30:1996;170-177.
    • (1996) Arch. Environ. Contam. Toxicol. , vol.30 , pp. 170-177
    • Pirselova, K.1    Balaz, S.2    Schultz, T.W.3
  • 36
    • 0024826034 scopus 로고
    • Uncoupling properties of a chlorophenol series on Acer cell suspensions: A QSAR study
    • Ravanel P., Taillandier G., Tissut M. Uncoupling properties of a chlorophenol series on Acer cell suspensions: A QSAR study. Ecotoxicol. Environ. Saf. 18:1989;337-345.
    • (1989) Ecotoxicol. Environ. Saf. , vol.18 , pp. 337-345
    • Ravanel, P.1    Taillandier, G.2    Tissut, M.3
  • 38
    • 85030354281 scopus 로고    scopus 로고
    • Règlement (CE) No. 1488/94 de la Commission du 28 juin 1994 (J.O.C.E. du 29 juin 1994). établissant les principes d'évaluation des risques pour l'homme et pour l'environnement prèsentès par les substances existantes conformément au règlement (CEE) No. 793/93.
    • Règlement (CE) No. 1488/94 de la Commission du 28 juin 1994 (J.O.C.E. du 29 juin 1994). établissant les principes d'évaluation des risques pour l'homme et pour l'environnement prèsentès par les substances existantes conformément au règlement (CEE) No. 793/93.
  • 39
    • 85030351833 scopus 로고    scopus 로고
    • Règlement (CEE) No. 793/93 du Conseil du 23 mars 1993 (J.O.C.E. du 5 avril 1993). concernant l'évaluation et le contrôle des risques présentés par les substances existantes.
    • Règlement (CEE) No. 793/93 du Conseil du 23 mars 1993 (J.O.C.E. du 5 avril 1993). concernant l'évaluation et le contrôle des risques présentés par les substances existantes.
  • 40
    • 0021043941 scopus 로고
    • Effects of selected chemicals to photoluminescent bacteria and their correlations with acute and sublethal effects on other organisms
    • Ribo J. M., Kaiser J. L. E. Effects of selected chemicals to photoluminescent bacteria and their correlations with acute and sublethal effects on other organisms. Chemosphere. 12:1983;1421-1442.
    • (1983) Chemosphere , vol.12 , pp. 1421-1442
    • Ribo, J.M.1    Kaiser, J.L.E.2
  • 41
    • 0022478598 scopus 로고
    • Effects of pentachlorophenol and some of its known and possible metabolites on fungi
    • Rückdeschel G., Renner G. Effects of pentachlorophenol and some of its known and possible metabolites on fungi. Appl. Environ. Microbiol. 51:1986;1370-1372.
    • (1986) Appl. Environ. Microbiol. , vol.51 , pp. 1370-1372
    • Rückdeschel, G.1    Renner, G.2
  • 42
    • 0019777499 scopus 로고
    • Influence of pH on the toxicity of substituted phenols to fish
    • Saarikoski J., Viluksela M. Influence of pH on the toxicity of substituted phenols to fish. Arch. Contam. Toxicol. 10:1981;747-753.
    • (1981) Arch. Contam. Toxicol. , vol.10 , pp. 747-753
    • Saarikoski, J.1    Viluksela, M.2
  • 43
    • 0020343624 scopus 로고
    • Relation between physicochemical properties of phenols and their toxicity and accumulation in fish
    • Saarikoski J., Viluksela M. Relation between physicochemical properties of phenols and their toxicity and accumulation in fish. Ecotoxicol. Environ. Saf. 6:1982;501-512.
    • (1982) Ecotoxicol. Environ. Saf. , vol.6 , pp. 501-512
    • Saarikoski, J.1    Viluksela, M.2
  • 44
    • 0023426720 scopus 로고
    • The use of the ionization constant (pKa) in selecting models of toxicity in phenols
    • Schultz T. W. The use of the ionization constant (pKa) in selecting models of toxicity in phenols. Ecotoxicol. Environ. Saf. 14:1987;178-183.
    • (1987) Ecotoxicol. Environ. Saf. , vol.14 , pp. 178-183
    • Schultz, T.W.1
  • 45
    • 0023240724 scopus 로고
    • Structure-activity relationships for mono alkylated or halogenated phenols
    • Schultz T. W., Cajina-Quezada M. Structure-activity relationships for mono alkylated or halogenated phenols. Toxicol. Lett. 37:1987;121-130.
    • (1987) Toxicol. Lett. , vol.37 , pp. 121-130
    • Schultz, T.W.1    Cajina-Quezada, M.2
  • 46
    • 0023001305 scopus 로고
    • Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems
    • Schultz T. W., Holcombe G. W., Phipps G. Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems. Ecotoxicol. Environ. Saf. 12:1986;146-153.
    • (1986) Ecotoxicol. Environ. Saf. , vol.12 , pp. 146-153
    • Schultz, T.W.1    Holcombe, G.W.2    Phipps, G.3
  • 47
    • 0021985852 scopus 로고
    • Predictive correlations for the toxicity of alkyl- And halogen-substituted phenols
    • Schultz T. W., Riggin G. W. Predictive correlations for the toxicity of alkyl- and halogen-substituted phenols. Toxicol. Lett. 25:1985;47-54.
    • (1985) Toxicol. Lett. , vol.25 , pp. 47-54
    • Schultz, T.W.1    Riggin, G.W.2
  • 48
    • 0024474749 scopus 로고
    • Structure-activity relationships for di and tri alkyl and/or halogen substituted phenols
    • Schultz T. W., Wesley S. K., Baker L. L. Structure-activity relationships for di and tri alkyl and/or halogen substituted phenols. Bull. Environ. Contam. Toxicol. 43:1989;192-198.
    • (1989) Bull. Environ. Contam. Toxicol. , vol.43 , pp. 192-198
    • Schultz, T.W.1    Wesley, S.K.2    Baker, L.L.3
  • 49
    • 0029276206 scopus 로고
    • Analysis of conformational coverage: 2. Applications of conformational models
    • Smelie A., Kahn S. D., Teig S. L. Analysis of conformational coverage: 2. Applications of conformational models. J. Chem. Inf. Comput. Sci. 35:1995a;295-304.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 295-304
    • Smelie, A.1    Kahn, S.D.2    Teig, S.L.3
  • 50
    • 84986522856 scopus 로고
    • Poling: Promoting conformational variation
    • Smelie A., Teig S. L., Towbin P. Poling: Promoting conformational variation. J. Comp. Chem. 16:1995b;171-187.
    • (1995) J. Comp. Chem. , vol.16 , pp. 171-187
    • Smelie, A.1    Teig, S.L.2    Towbin, P.3
  • 51
    • 0028014398 scopus 로고
    • Evaluation of the toxicity and quantitative structure-activity relation-ships (QSAR) of chlorophenols to the copepodic stage of a marine copepod (Tisbe battagliai) and two species of benthic flatfish, the flounder (Platichthys flesus) and sole (Solea solea)
    • Smith S., Furay V. J., Layiwola P. J., Fihlo-Menezes J. A. Evaluation of the toxicity and quantitative structure-activity relation-ships (QSAR) of chlorophenols to the copepodic stage of a marine copepod (Tisbe battagliai) and two species of benthic flatfish, the flounder (Platichthys flesus) and sole (Solea solea). Chemosphere. 28:1994;825-836.
    • (1994) Chemosphere , vol.28 , pp. 825-836
    • Smith, S.1    Furay, V.J.2    Layiwola, P.J.3    Fihlo-Menezes, J.A.4
  • 52
    • 0005123846 scopus 로고
    • Automated chemical hypothesis generation and database searching with CATALYST
    • P. S. Anderson, G. L. Kenyon, G. R. Marshall, Müller K. Leiden: ESCOM
    • Sprague P. Automated chemical hypothesis generation and database searching with CATALYST. Anderson P. S., Kenyon G. L., Marshall G. R., Müller K. Perspectives in Drug Discovery and Design. 3:1995;1-20 ESCOM, Leiden.
    • (1995) Perspectives in Drug Discovery and Design , vol.3 , pp. 1-20
    • Sprague, P.1
  • 54
  • 55
    • 0027641061 scopus 로고
    • Development of QSAR's in soil ecotoxicology: Earthworm toxicity and soil sorption of chlorophenols, chlorobenzenes and chloroanilines
    • Van Gestel C. A. M., Wei-Chun Ma. Development of QSAR's in soil ecotoxicology: Earthworm toxicity and soil sorption of chlorophenols, chlorobenzenes and chloroanilines. Water Air Soil Pollut. 69:1993;265-276.
    • (1993) Water Air Soil Pollut. , vol.69 , pp. 265-276
    • Van Gestel, C.A.M.1    Wei-Chun, Ma.2
  • 56
    • 0026335330 scopus 로고
    • Development of QSARs in terrestrial ecotoxicology: Earthworm toxicity and soil sorption of chlorophenols, chlorobenzenes and chloroaniline
    • Van Gestel C. A. M., Wei-Chun Ma., Smit C. E. Development of QSARs in terrestrial ecotoxicology: Earthworm toxicity and soil sorption of chlorophenols, chlorobenzenes and chloroaniline. Sci. Total Environ. 109/110:1991;589-604.
    • (1991) Sci. Total Environ. , vol.109-110 , pp. 589-604
    • Van Gestel, C.A.M.1    Wei-Chun, Ma.2    Smit, C.E.3
  • 57
    • 0029054332 scopus 로고
    • Narcosis due to en-vironmental pollutants in aquatic organisms: Residue-based toxicity, mechanisms, and membrane burdens
    • Van Wezel A. P., Opperhuizen A. Narcosis due to en-vironmental pollutants in aquatic organisms: Residue-based toxicity, mechanisms, and membrane burdens. Crit. Rev. Toxicol. 25:1995;255-279.
    • (1995) Crit. Rev. Toxicol. , vol.25 , pp. 255-279
    • Van Wezel, A.P.1    Opperhuizen, A.2
  • 58
    • 0029445451 scopus 로고
    • U.S. EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations
    • Zeeman M., Auer C. M., Clements R. G., Nabholz J. V., Boethling R. S. U.S. EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations. SAR QSAR Environ. Res. 3:1995;179-201.
    • (1995) SAR QSAR Environ. Res. , vol.3 , pp. 179-201
    • Zeeman, M.1    Auer, C.M.2    Clements, R.G.3    Nabholz, J.V.4    Boethling, R.S.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.