論文 - 詳細
| RRC ID | 52437 |
|---|---|
| 著者 | Uesawa Y, Sakagami H, Ikezoe N, Takao K, Kagaya H, Sugita Y. |
| タイトル | Quantitative Structure-Cytotoxicity Relationship of Aurones. |
| ジャーナル | Anticancer Res |
| Abstract |
BACKGROUND/AIM:Seventeen aurones were subjected to quantitative structure-activity relationship (QSAR) analysis based on their cytotoxicity and tumor-specificity, in order to find their new biological activities. MATERIALS AND METHODS:Cytotoxicity against three human oral squamous cell carcinoma cell lines and three oral mesenchymal cells was determined by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method. Tumor specificity (TS) was evaluated by the ratio of the mean 50% cytotoxic concentration (CC50) against normal cells to that against tumor cell lines. Potency-selectivity expression (PSE) value was calculated by dividing TS by CC50 against tumor cells. Physicochemical, structural and quantum-chemical parameters were calculated based on the conformations optimized by force-field minimization. RESULTS:Sixteen out of seventeen aurones showed relatively higher cytotoxicity and tumor specificity. Among them, (2Z)-2-[(4-hydroxyphenyl)methylene]-3(2H)-benzofuranone [7] showed the highest TS value and PSE values, comparable with those of doxorubicin and higher than 5-FU, respectively. TS values were correlated with molecular shape, size and polarizability rather than the types of substituted groups. CONCLUSION:Chemical modification of the lead compound may be a potential choice for designing a new type of anticancer drugs. |
| 巻・号 | 37(11) |
| ページ | 6169-6176 |
| 公開日 | 2017-11-1 |
| DOI | 10.21873/anticanres.12066 |
| PII | 37/11/6169 |
| PMID | 29061798 |
| MeSH | Antineoplastic Agents / pharmacology Apoptosis / drug effects* Benzofurans / pharmacology* Carcinoma, Squamous Cell / drug therapy* Carcinoma, Squamous Cell / pathology Cell Proliferation / drug effects Child Female Humans Molecular Structure Mouth Neoplasms / drug therapy* Mouth Neoplasms / pathology Quantitative Structure-Activity Relationship Tumor Cells, Cultured |
| IF | 1.994 |
| 引用数 | 4 |
| リソース情報 | |
| ヒト・動物細胞 | Ca9-22(RCB1976) HSC-2(RCB1945) HSC-4(RCB1902) |