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연구자들이 자신의 연구와 전문성을 널리 알리고, 새로운 협력의 기회를 만들 수 있는 네트워킹 공간이에요.
논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 발행연도
- 2019.10
- 수록면
- 295 - 301 (7page)
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초록· 키워드
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In this review, we describe the absorption rates (Caco-2 cell permeability) and hepatic/plasma pharmacokinetics of 53 diverse chemicals estimated by modeling virtual oral administration in rats. To ensure that a broad range of chemical structures is present among the selected substances, the properties described by 196 chemical descriptors in a chemoinformatics tool were calculated for 50,000 randomly selected molecules in the original chemical space. To allow visualization, the resulting chemical space was projected onto a two-dimensional plane using generative topographic mapping. The calculated absorbance rates of the chemicals based on cell permeability studies were found to be inversely correlated to the no-observed-effect levels for hepatoxicity after oral administration, as obtained from the Hazard Evaluation Support System Integrated Platform in Japan (r = −0.88, p ＜ 0.01, n = 27). The maximum plasma concentrations and the areas under the concentration-time curves (AUC) of a varied selection of chemicals were estimated using two different methods: simple one-compartment models (i.e., high-throughput toxicokinetic models) and simplified physiologically based pharmacokinetic (PBPK) modeling consisting of chemical receptor (gut), metabolizing (liver), and central (main) compartments. The results obtained from the two methods were consistent. Although the maximum concentrations and AUC values of the 53 chemicals roughly correlated in the liver and plasma, inconsistencies were apparent between empirically measured concentrations and the PBPK-modeled levels. The lowest-observed-effect levels and the virtual hepatic AUC values obtained using PBPK models were inversely correlated (r = −0.78, p ＜ 0.05, n = 7). The present simplified PBPK models could estimate the relationships between hepatic/plasma concentrations and oral doses of general chemicals using both forward and reverse dosimetry. These methods are therefore valuable for estimating hepatotoxicity.
목차
Abstract
INTRODUCTION
ORAL ABSORPTION OF CHEMICALS AND THEIR HEPATOTOXICITY
HEPATIC CONCENTRATIONS OF CHEMICALS AND THEIR TOXICITIES
CONCLUSION AND FUTURE STUDY
REFERENCES
참고문헌 (34)
참고문헌 신청
Alwis, K.U. / 2012 / Simultaneous analysis of 28 urinary VOC metabolites using ultra high performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry (UPLC-ESI/MSMS) / Anal. Chim. Acta 750:152~160
Sexton, K. / 2006 / Using biologic markers in blood to assess exposure to multiple environmental chemicals for inner-city children 3-6 years of age / Environ. Health Persp 114:453~459
Bell, S. M. / 2018 / In vitro to in vivo extrapolation for high throughput prioritization and decision making / Toxicol. In Vitro 47:213~227
Rotroff, D. M. / 2010 / Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening / Toxicol. Sci 117:348~358
Wetmore, B. A. / 2012 / Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment / Toxicol. Sci 125:157~174
Sexton, K. / 2006 / Using biologic markers in blood to assess exposure to multiple environmental chemicals for inner-city children 3-6 years of age / Environ. Health Persp 114:453~459
Bell, S. M. / 2018 / In vitro to in vivo extrapolation for high throughput prioritization and decision making / Toxicol. In Vitro 47:213~227
Rotroff, D. M. / 2010 / Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening / Toxicol. Sci 117:348~358
Wetmore, B. A. / 2012 / Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment / Toxicol. Sci 125:157~174
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