학술논문
Cytotoxic Activity and Three-Dimensional Quantitative Structure Activity Relationship of 2-Aryl-1,8-naphthyridin-4-ones
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- 영문명
- Cytotoxic Activity and Three-Dimensional Quantitative Structure Activity Relationship of 2-Aryl-1,8-naphthyridin-4-ones
- 발행기관
- 대한생리학회-대한약리학회
- 저자명
- Yong Jin Kim Eun Ae Kim Mi Lyang Chung Chaeuk Im
- 간행물 정보
- 『The Korean Journal of Physiology & Pharmacology』제13권 제6호, 511~516쪽, 전체 6쪽
- 주제분류
- 의약학 > 의학일반
- 파일형태
- 발행일자
- 2009.01.01
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국문 초록
영문 초록
A series of substituted 2-arylnaphthyridin-4-one analogues, which were previously synthesized in our laboratory, were evaluated for their in vitro cytotoxic activity against human lung cancer A549 and human renal cancer Caki-2 cells using MTT assay. Some compounds (11, 12, and 13) showed stronger cytotoxicity than colchicine against both tumor cell lines, and compound 13 exhibited the most potent activity with IC50 values of 2.3 and 13.4</SUB>ՌM, respectively. Three-dimensional quantitative structure activity relationship (3D-QSAR) studies of comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed. Predictive 3D-QSAR models were obtained with q2 values of 0.869 and 0.872 and r2ncv values of 0.983 and 0.993 for CoMFA and CoMSIA, respectively. These results demonstrate that CoMFA and CoMSIA models could be reliably used in the design of novel cytotoxic agents.
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