کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2593004 1132063 2008 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structure–activity relationship analysis tools: Validation and applicability in predicting carcinogens
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم محیط زیست بهداشت، سم شناسی و جهش زایی
پیش نمایش صفحه اول مقاله
Structure–activity relationship analysis tools: Validation and applicability in predicting carcinogens
چکیده انگلیسی

OncoLogic® and MultiCASE (MCASE) are two structure–activity relationship (SAR) analysis software programs available to screen compounds for potential carcinogenicity. Ashby–Tennant structural alerts [Ashby, J., Tennant, R.W., 1991. Definitive relationships among chemical structure, carcinogenicity, and mutagenicity for 301 chemicals tested by the US NTP. Mutat. Res. 257, 229–306] and genetic toxicity testing may also be used to assess/predict this endpoint. Six-hundred and fifty compounds tested for carcinogenicity whose results were tabulated in the Carcinogenic Potency Database (CPDB) were used to validate and compare the predictivity of OncoLogic® (Version 4.1), MCASE (Version 3.1), Ashby–Tennant structural alerts, and genetic toxicity testing, individually and in combination. The sensitivity of the methods for predicting carcinogens and the specificity for predicting non-carcinogens was examined. Potent carcinogens, defined as those with TD50 values of less than 6.25 mg/kg bw/d, were then examined separately. It is concluded that SAR analysis programs and structural alerts perform well for compounds with low human exposure levels and have the potential to supplement the results of routinely requested genetic toxicity tests in a weight-of-evidence approach in predicting carcinogenicity, although each method of analysis has limitations regarding applicability.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Regulatory Toxicology and Pharmacology - Volume 50, Issue 1, February 2008, Pages 50–58
نویسندگان
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