Pharmacophore-based 3D database searching
文献类型：期刊论文
| 作者 | Peng, T; Zhou, JJ |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 2003-09-01 |
| 卷号 | 19期号:9页码:886-888 |
| 关键词 | tyrosine kinase inhibitor pharmacophore 3D database searching |
| ISSN号 | 1000-6818 |
| 其他题名 | Acta Phys.-Chim. Sin. |
| 中文摘要 | A 3D database searching was conducted with 3DFS in 3D database using the pharmacophore of epidermal growth factor receptor(EGFR) tyrosine kinase inhibitors. Twelve compounds were selected from the hits and their biological activities were predicted using the Flexible Atom Receptor Model(FLARM) method. Two compounds among them were found to have high activities according to the prediction results. So these two compounds may have the inhibition function and structure optimization can be done with these two lead compounds. |
| 英文摘要 | A 3D database searching was conducted with 3DFS in 3D database using the pharmacophore of epidermal growth factor receptor(EGFR) tyrosine kinase inhibitors. Twelve compounds were selected from the hits and their biological activities were predicted using the Flexible Atom Receptor Model(FLARM) method. Two compounds among them were found to have high activities according to the prediction results. So these two compounds may have the inhibition function and structure optimization can be done with these two lead compounds. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | TYROSINE KINASE INHIBITORS ; ATOM RECEPTOR MODEL ; DESIGN ; DISCOVERY ; SYSTEM ; CANCER |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000185545200023 |
| 公开日期 | 2013-11-08 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/5323]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Peng, T,Zhou, JJ. Pharmacophore-based 3D database searching[J]. ACTA PHYSICO-CHIMICA SINICA,2003,19(9):886-888. |
| APA | Peng, T,&Zhou, JJ.(2003).Pharmacophore-based 3D database searching.ACTA PHYSICO-CHIMICA SINICA,19(9),886-888. |
| MLA | Peng, T,et al."Pharmacophore-based 3D database searching".ACTA PHYSICO-CHIMICA SINICA 19.9(2003):886-888. |
入库方式： OAI收割
来源：过程工程研究所
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