QSAR(정량적구조활성관계)를 이용한 환경 중 잔류의약품류의 물리화학적 특성 및 독성 예측
Estimation of Physico-chemical and Eco-toxicological Properties of Pharmaceuticals by QSAR Approach
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초록
QSAR(Quantitative Structure Activity Relationship) is a method to estimate physico-chemical properties and eco-toxicity of a man-made chemical through the statistical analysis of the relation between molecular structure and activity of the chemical. It can be advantageous since QSAR gives an idea to researchers how a man-made chemical behaves in the environment where it is discharged without any time-consuming and labor intensive laboratory experiment. In this study, physico-chemical and toxicological properties of 15 pharmaceuticals were estimated by applying QSAR. In general, the predicted properties were reasonable good; some of them were compared with experimental data available in literature. It was concluded that QSAR could be utilized as a tool to initially screen eco-toxicologically harmful pharmaceuticals.
Abstract
QSAR(Quantitative Structure Activity Relationship) is a method to estimate physico-chemical properties and eco-toxicity of a man-made chemical through the statistical analysis of the relation between molecular structure and activity of the chemical. It can be advantageous since QSAR gives an idea to researchers how a man-made chemical behaves in the environment where it is discharged without any time-consuming and labor intensive laboratory experiment. In this study, physico-chemical and toxicological properties of 15 pharmaceuticals were estimated by applying QSAR. In general, the predicted properties were reasonable good; some of them were compared with experimental data available in literature. It was concluded that QSAR could be utilized as a tool to initially screen eco-toxicologically harmful pharmaceuticals.
참고문헌 (6)
- John C. Dearden, "Prediction of Environmental Toxicity and Fate Using Quantitative Structure- Activity Relationships (QSARs)", Chem. Soc., 13(6), pp.754~762 (2002)
- "Overview of SAR for Environmental Endpoints, 1995 Contract #EV5V-CT92-0211", ~
- 환경 중 의약품 분석방법 연구 및 노출실태조사, "명승운", 국립환경과학원, ~ (2006)
- 주요 하천수에서 항생제 등 일부 의약물질 검출, "단병호", ~ (2007)
- 주요 하천수에서 항생제 등 일부 의약물질 검출, , 환경부, ~ (2008)
- 의약물질의 환경위해성 평가 체계 구축 방안, "박정임", 한국환경정책평가연구원, ~ (2006)