A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS .6. QSARS FOR THE MUTAGENIC EFFECTS OF HALOGENATED ALIPHATICS

被引:8
作者
ERIKSSON, L
HELLBERG, S
JOHANSSON, E
JONSSON, J
SJOSTROM, M
WOLD, S
BERGLIND, R
KARLSSON, B
机构
[1] UMETRI AB,S-90124 UMEA,SWEDEN
[2] NATL DEF RES ESTAB,NBC DEF RES,S-90182 UMEA,SWEDEN
来源
ACTA CHEMICA SCANDINAVICA | 1991年 / 45卷 / 09期
关键词
D O I
10.3891/acta.chem.scand.45-0935
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
A strategy for the systematic analysis and priority ranking of environmental chemicals has been applied to a class of 58 halogenated aliphatic hydrocarbons. A training set of ten compounds representing this class, was selected by statistical design. The training set compounds were then subjected to biological testing in the Salmonella typhimurium reverse mutation assay (Ames test). The measured biological data, recorded as dose-response curves, were analyzed to determine the mutagenic potency (slope of the initial portion) and the mutagen dose (MD50) required to increase the number of revertants above the background by 50%. For each compound, four mutagenic potency estimates and four MD50 values were determined, all originating from the tester strains TA 100 and TA 1535 with and without metabolic activation. The obtained responses were analyzed with multivariate techniques to give QSAR models relating the mutagenic potency data to the physico-chemical properties of the compounds. Finally, the derived QSARs were used to predict the mutagenic potencies and the MD50s for the non-tested compounds in the class.
引用
收藏
页码:935 / 944
页数:10
相关论文
共 25 条
  • [1] CHEMICAL-STRUCTURE, SALMONELLA MUTAGENICITY AND EXTENT OF CARCINOGENICITY AS INDICATORS OF GENOTOXIC CARCINOGENESIS AMONG 222 CHEMICALS TESTED IN RODENTS BY THE UNITED-STATES NCI/NTP
    ASHBY, J
    TENNANT, RW
    [J]. MUTATION RESEARCH, 1988, 204 (01): : 17 - 115
  • [2] AN EMPIRICAL-APPROACH TO THE STATISTICAL-ANALYSIS OF MUTAGENESIS DATA FROM THE SALMONELLA TEST
    BERNSTEIN, L
    KALDOR, J
    MCCANN, J
    PIKE, MC
    [J]. MUTATION RESEARCH, 1982, 97 (04): : 267 - 281
  • [3] THE DIRECT MUTAGENIC ACTIVITY OF ALPHA,OMEGA-DIHALOGENOALKANES IN SALMONELLA-TYPHIMURIUM - STRONG CORRELATION BETWEEN CHEMICAL-PROPERTIES AND MUTAGENIC ACTIVITY
    BUIJS, W
    VANDERGEN, A
    MOHN, GR
    BREIMER, DD
    [J]. MUTATION RESEARCH, 1984, 141 (01): : 11 - 14
  • [4] Dunn III W., 1984, QUANT STRUCT ACT REL, V3, P131
  • [5] A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS .2. MULTIVARIATE QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS FOR HALOGENATED ALIPHATICS
    ERIKSSON, L
    JONSSON, J
    HELLBERG, S
    LINDGREN, F
    SKAGERBERG, B
    SJOSTROM, M
    WOLD, S
    BERGLIND, R
    [J]. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 1990, 9 (11) : 1339 - 1351
  • [6] A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS .2. AN ILLUSTRATION WITH 2 DATA SETS OF CHLORINATED ALIPHATICS AND ALIPHATIC-ALCOHOLS
    ERIKSSON, L
    JONSSON, J
    SJOSTROM, M
    WOLD, S
    [J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1989, 7 (1-2) : 131 - 141
  • [7] A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS .5. THE DEVELOPMENT OF 2 GENOTOXICITY QSARS FOR HALOGENATED ALIPHATICS
    ERIKSSON, L
    JONSSON, J
    HELLBERG, S
    LINDGREN, F
    SJOSTROM, M
    WOLD, S
    [J]. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 1991, 10 (05) : 585 - 596
  • [8] A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS
    JONSSON, J
    ERIKSSON, L
    SJOSTROM, M
    WOLD, S
    TOSATO, ML
    [J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1989, 5 (02) : 169 - 186
  • [9] KARLSSON B, 1990, NBC8033 NAT DEF RES
  • [10] A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS .4. DEVELOPMENT OF CHEMICAL-MODEL SYSTEMS FOR CHARACTERIZATION OF HALOGENATED ALIPHATIC-HYDROCARBONS
    LINDGREN, F
    ERIKSSON, L
    HELLBERG, S
    JONSSON, J
    SJOSTROM, M
    WOLD, S
    [J]. QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1991, 10 (01): : 36 - 42