异喹啉类化合物抑制肥大细胞颗粒活性的3D－QSAR研究
文献类型：期刊论文
| 作者 | 陈海峰 ; 李强 ; 曾宝珊 ; 董喜成 ; 袁身刚 ; 陈敏伯 ; 郑崇直 ; 孙仁山 ; 程天民 ; 粟永萍 ; 刘荣卿 |
| 刊名 | 化学学报
 |
| 出版日期 | 2001 |
| 卷号 | 59期号:12页码:2143-2147 |
| 其他题名 | 3D-QSAR study on anti-mast cell degranulation of isoquinoline compounds. |
| 通讯作者 | 袁身刚 ; 刘荣卿 |
| 中文摘要 | 回顾了在抑铬雾剂F-53研制的推下在(I)亲核试剂进攻下全氟(或多氟)磺酸酯的S一O)和／或c—o断裂方式(ii)全氟碘代烷的单电子转移反应(iii)：二氟卡宾和三氟甲基化等芳面所取得一些反应结果。 |
| 英文摘要 | A set of isoquinoline compounds of anti-mast cell degranulation were investigated by using 3D-QSAR. Their pharmacophore model was identified by DISCO program. According to the pharmacophore model, 3D-QSAR models for the activity and toxicity were built respectively by CoMFA. The crossvalidated Rcv~2 and the non - crossvalidated R~2(correlation coefficient)for the structure-activity and structure-toxicity models are 0.654 and 0.662, 0.990 and 0.983 respectively. The confidence levels of these models are all over 99% by referring statistics F tabel. These models show relevant and high predictability. New bioactive lead compounds were designed on the basis of hese models. Their prediceted activities are the higher and the predicted toxicity are lower than known compounds, Synthesis of these new compounds is in progress. |
| 学科主题 | 计算机化学与化学信息学 |
| 收录类别 | SCI |
| 公开日期 | 2013-02-26 |
| 源URL | [http://202.127.28.38/handle/331003/20581]  |
| 专题 | 上海有机化学研究所_计算机化学与化学信息学研究室 |
| 推荐引用方式 GB/T 7714 | 陈海峰,李强,曾宝珊,等. 异喹啉类化合物抑制肥大细胞颗粒活性的3D－QSAR研究[J]. 化学学报,2001,59(12):2143-2147. |
| APA | 陈海峰.,李强.,曾宝珊.,董喜成.,袁身刚.,...&刘荣卿.(2001).异喹啉类化合物抑制肥大细胞颗粒活性的3D－QSAR研究.化学学报,59(12),2143-2147. |
| MLA | 陈海峰,et al."异喹啉类化合物抑制肥大细胞颗粒活性的3D－QSAR研究".化学学报 59.12(2001):2143-2147. |
入库方式： OAI收割
来源：上海有机化学研究所
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