메뉴 건너뛰기




Volumn 17, Issue 5, 1998, Pages 427-436

Multiple binding modes in 3D-QSAR: Microbial degradation of polychlorinated biphenyls

Author keywords

3D QSAR; Microbial degradation; Multiple binding modes; PCBs; Receptor mapping

Indexed keywords

BINDING ENERGY; BIODEGRADATION; COMPUTATIONAL CHEMISTRY; DEGRADATION; ORGANIC POLLUTANTS;

EID: 19244377973     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1521-3838(199810)17:05<427::aid-qsar427>3.3.co;2-f     Document Type: Article
Times cited : (15)

References (27)
  • 2
    • 0003690547 scopus 로고
    • Multiple modes of binding of thyroid hormones and other iodothyronines to human plasma transthyretin
    • Beddell, C.R. (Ed.), John Wiley and Sons, Chichester
    • De La Paz, P., Burridge, J.M., Oatley, S.J. and Blake, C.C.F., Multiple modes of binding of thyroid hormones and other iodothyronines to human plasma transthyretin. In: Beddell, C.R. (Ed.), The Design Of Drugs to Macromolecular Targets, John Wiley and Sons, Chichester 1992, pp. 119-172.
    • (1992) The Design of Drugs to Macromolecular Targets , pp. 119-172
    • De La Paz, P.1    Burridge, J.M.2    Oatley, S.J.3    Blake, C.C.F.4
  • 3
    • 0027548454 scopus 로고
    • A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
    • Martin, Y.C., Bures, M.G., Danaher, E.A., Delazzer, J., Lico and Pavlik, P.A., A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists. J. Comput.-Aid. Mol. Design 7, 83-102 (1993).
    • (1993) J. Comput.-Aid. Mol. Design , vol.7 , pp. 83-102
    • Martin, Y.C.1    Bures, M.G.2    Danaher, E.A.3    Delazzer, J.4    Lico5    Pavlik, P.A.6
  • 5
    • 0030846175 scopus 로고    scopus 로고
    • Validation of EGS1TE2, a mixed integer program for deducing objective site models from experimental binding data
    • Crippen, G.M., Validation of EGS1TE2, a mixed integer program for deducing objective site models from experimental binding data. J. Med. Chem. 40, 3161-3172 (1997).
    • (1997) J. Med. Chem. , vol.40 , pp. 3161-3172
    • Crippen, G.M.1
  • 6
    • 0028064402 scopus 로고
    • Receptor mapping with multiple binding modes: Binding site of PCB-degradmg enzyme
    • Balaz, S., Homak, V. and Haluska, L., Receptor mapping with multiple binding modes: binding site of PCB-degradmg enzyme Chemometrics Intell. Lah. Syst. 24, 185-191 (1994).
    • (1994) Chemometrics Intell. Lah. Syst. , vol.24 , pp. 185-191
    • Balaz, S.1    Homak, V.2    Haluska, L.3
  • 7
    • 0017879297 scopus 로고
    • Effect of chlorine substitution on the biodegradability of polychlorinated biphenyls
    • Furukawa, K., Tonomura, K. and Kamibayashi, A., Effect of chlorine substitution on the biodegradability of polychlorinated biphenyls Appl. Environ. Microbiol. 35, 223-227 (1978).
    • (1978) Appl. Environ. Microbiol. , vol.35 , pp. 223-227
    • Furukawa, K.1    Tonomura, K.2    Kamibayashi, A.3
  • 9
    • 0020606139 scopus 로고
    • Polychlorinated biphenyls as phenobarbitone-type inducers of microsomal enzymes. Structure-activity relationships for a series of 2,4-dichloro-substituted congeners
    • Denomme, M.A., Bandiera, S., Lambert, I., Copp, L., Safe, L. and Safe, S., Polychlorinated biphenyls as phenobarbitone-type inducers of microsomal enzymes. Structure-activity relationships for a series of 2,4-dichloro-substituted congeners. Biochem. Pharmacol. 32, 2955-2963 (1983).
    • (1983) Biochem. Pharmacol. , vol.32 , pp. 2955-2963
    • Denomme, M.A.1    Bandiera, S.2    Lambert, I.3    Copp, L.4    Safe, L.5    Safe, S.6
  • 10
    • 0024997614 scopus 로고
    • Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs), and related compounds: Environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs)
    • Safe, S., Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs), and related compounds: Environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs). Crit. Rev. Toxicol. 21, 51-88 (1990).
    • (1990) Crit. Rev. Toxicol. , vol.21 , pp. 51-88
    • Safe, S.1
  • 11
    • 0021048670 scopus 로고
    • Competitive binding to the cytosolic 2,3,7,8-tetrachlorodibenzo-p-dioxin receptor. Effects of structure on the affinities of substituted halogenated biphenyls - A QSAR analysis
    • Bandiera, S., Sawyer, T.W., Campbell, M.A., Fujita, T. and Safe, S., Competitive binding to the cytosolic 2,3,7,8-tetrachlorodibenzo-p-dioxin receptor. Effects of structure on the affinities of substituted halogenated biphenyls - a QSAR analysis. Biochem. Pharmacol. 32, 3803-3813 (1983).
    • (1983) Biochem. Pharmacol. , vol.32 , pp. 3803-3813
    • Bandiera, S.1    Sawyer, T.W.2    Campbell, M.A.3    Fujita, T.4    Safe, S.5
  • 12
    • 0023184366 scopus 로고
    • Polychlorinated dibenzofuran (PCDF) binding to the Ah receptor(s) and associated enzyme induction. Theoretical model based on molecular parameters
    • Long, G., McKinney, J. and Pedersen, L., Polychlorinated dibenzofuran (PCDF) binding to the Ah receptor(s) and associated enzyme induction. Theoretical model based on molecular parameters. Quant. Struct.-Act. Relat. 6, 1-7 (1987).
    • (1987) Quant. Struct.-Act. Relat. , vol.6 , pp. 1-7
    • Long, G.1    McKinney, J.2    Pedersen, L.3
  • 13
    • 0022398044 scopus 로고
    • PCB and related compound binding to the Ah receptor(s) theoretical model based on molecular parameters and molecular mechanics
    • McKinney, J.D., Darden, T., Lyerly, M.A. and Pedersen, L.G., PCB and related compound binding to the Ah receptor(s) theoretical model based on molecular parameters and molecular mechanics. Quant. Struc.-Act. Relat. 4, 166-172 (1985).
    • (1985) Quant. Struc.-Act. Relat. , vol.4 , pp. 166-172
    • McKinney, J.D.1    Darden, T.2    Lyerly, M.A.3    Pedersen, L.G.4
  • 14
    • 0022997497 scopus 로고
    • A theoretical study of the binding of polychlorinated biphenyls (PCBs), dibenzodioxins and dibenzofurans to human plasma prealbumin
    • Pedersen, L.G., Darden, T.A., Oatley, S.J. and McKinney, J.D., A theoretical study of the binding of polychlorinated biphenyls (PCBs), dibenzodioxins and dibenzofurans to human plasma prealbumin. J. Med. Chem. 29, 2451-2457 (1986).
    • (1986) J. Med. Chem. , vol.29 , pp. 2451-2457
    • Pedersen, L.G.1    Darden, T.A.2    Oatley, S.J.3    McKinney, J.D.4
  • 15
    • 0022916441 scopus 로고
    • Structurally specific binding of halogenated biphenyls to thyroxine transport protein
    • Rickenbacher, U., McKinney, J., Oatley, S.J. and Blake, C.C.F., Structurally specific binding of halogenated biphenyls to thyroxine transport protein. J. Med. Chem. 29, 641-648 (1986).
    • (1986) J. Med. Chem. , vol.29 , pp. 641-648
    • Rickenbacher, U.1    McKinney, J.2    Oatley, S.J.3    Blake, C.C.F.4
  • 16
    • 0026705133 scopus 로고
    • Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls
    • Waller, C.L. and McKinney, J.D., Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls. J. Med. Chem. 35, 3660-3666 (1992).
    • (1992) J. Med. Chem. , vol.35 , pp. 3660-3666
    • Waller, C.L.1    McKinney, J.D.2
  • 17
    • 0028978788 scopus 로고
    • Three-dimensional quantitative structure-activity relationships of dioxins and dioxin-like compounds: Model validation and Ah receptor characterization
    • Waller, C.L. and McKinney, J.D., Three-dimensional quantitative structure-activity relationships of dioxins and dioxin-like compounds: model validation and Ah receptor characterization. Chem. Res. Toxicol. 8, 847-858 (1995).
    • (1995) Chem. Res. Toxicol. , vol.8 , pp. 847-858
    • Waller, C.L.1    McKinney, J.D.2
  • 18
    • 0027076814 scopus 로고
    • A time hierarchy-based model for kinetics of drug disposition and its use in quantitative structure-activity relationships
    • Balaz, S., Wiese, M. and Seydel, J.K., A time hierarchy-based model for kinetics of drug disposition and its use in quantitative structure-activity relationships. J. Pharm. Sci. 81, 849-857 (1992).
    • (1992) J. Pharm. Sci. , vol.81 , pp. 849-857
    • Balaz, S.1    Wiese, M.2    Seydel, J.K.3
  • 19
    • 0000144433 scopus 로고
    • The partition of organic compounds between higher alcohols and water
    • Collander, R., The partition of organic compounds between higher alcohols and water. Acta Chem. Scand. 5, 774-780 (1951).
    • (1951) Acta Chem. Scand. , vol.5 , pp. 774-780
    • Collander, R.1
  • 20
    • 0001544060 scopus 로고
    • Semi-empirical molecular-orbital estimation of the relative stability of polychlorinated biphenyl isomers produced by o-dichlorobenzene pyrolysis
    • Mulholland, J.A., Sarofim, A.F., Rutledge, G.C., Semi-empirical molecular-orbital estimation of the relative stability of polychlorinated biphenyl isomers produced by o-dichlorobenzene pyrolysis. J. Phys. Chem. 97, 6890-6896 (1993).
    • (1993) J. Phys. Chem. , vol.97 , pp. 6890-6896
    • Mulholland, J.A.1    Sarofim, A.F.2    Rutledge, G.C.3
  • 21
    • 0030877090 scopus 로고    scopus 로고
    • The internal barriers of rotation for the 209 polychlorinated biphenyls
    • Andersson, P.I., Haglund, P. and Tysklind, M., The internal barriers of rotation for the 209 polychlorinated biphenyls. Environ. Sci. Pollut. Res. 4, 75-81 (1997).
    • (1997) Environ. Sci. Pollut. Res. , vol.4 , pp. 75-81
    • Andersson, P.I.1    Haglund, P.2    Tysklind, M.3
  • 22
    • 0003537829 scopus 로고    scopus 로고
    • Hypercube Inc., Waterloo, Ontario, N2L 3X2, Canada
    • Hyperchem™, release 4.5 for Windows, Hypercube Inc., Waterloo, Ontario, N2L 3X2, Canada
    • Hyperchem™, Release 4.5 for Windows
  • 23
    • 0024395179 scopus 로고
    • Determination of octanol/water partition coefficients for Hydrophobic organic chemicals with the slow-stirring" method
    • De Bruijn, J., Busser. F., Seine, W. and Hermens, J., Determination of octanol/water partition coefficients for Hydrophobic organic chemicals with the slow-stirring" method. Environ. Toxicol. Chem. 8, 499-512 (1989).
    • (1989) Environ. Toxicol. Chem. , vol.8 , pp. 499-512
    • De Bruijn, J.1    Busser, F.2    Seine, W.3    Hermens, J.4
  • 25
    • 84907112796 scopus 로고
    • Aerobic and anaerobic biodegradation of PCBs: A review
    • Abramowicz, D.A., Aerobic and anaerobic biodegradation of PCBs: a review. Crit. Rev. Biotechnol. 10, 241-251 (1990).
    • (1990) Crit. Rev. Biotechnol. , vol.10 , pp. 241-251
    • Abramowicz, D.A.1
  • 26
    • 0025697216 scopus 로고
    • Influence of chlorine substitution pattern on the degradation of polychlorinated biphenyls by eight bacterial strains
    • Bedard, D.L. and Haberl, M.L., Influence of chlorine substitution pattern on the degradation of polychlorinated biphenyls by eight bacterial strains. Microb. Ecol. 20, 87-102 (1990).
    • (1990) Microb. Ecol. , vol.20 , pp. 87-102
    • Bedard, D.L.1    Haberl, M.L.2
  • 27
    • 0011095143 scopus 로고
    • Biphenyl/chlorobiphenyls catabolic pathway of Comamonas testosteroni B-356: Prospect for use in bioremediation
    • Sylvestre, M., Biphenyl/chlorobiphenyls catabolic pathway of Comamonas testosteroni B-356: Prospect for use in bioremediation. Int. Biodeter. Biodeg. 189-211 (1995).
    • (1995) Int. Biodeter. Biodeg. , pp. 189-211
    • Sylvestre, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.