CAS OpenIR  > 研究所(批量导入)
Pharmacophore-based 3D database searching
Alternative TitleActa Phys.-Chim. Sin.
Peng, T; Zhou, JJ
2003-09-01
Source PublicationACTA PHYSICO-CHIMICA SINICA
ISSN1000-6818
Volume19Issue:9Pages:886-888
AbstractA 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.; 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.
KeywordTyrosine Kinase Inhibitor Pharmacophore 3d Database Searching
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.3866/PKU.WHXB20030923
URL查看原文
Indexed BySCI
Language英语
WOS KeywordTYROSINE KINASE INHIBITORS ; ATOM RECEPTOR MODEL ; DESIGN ; DISCOVERY ; SYSTEM ; CANCER
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000185545200023
Citation statistics
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/5323
Collection研究所(批量导入)
AffiliationChinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China
Recommended Citation
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.
Files in This Item:
File Name/Size DocType Version Access License
基于药效团的三维数据库搜索_彭涛.pdf(209KB) 限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Peng, T]'s Articles
[Zhou, JJ]'s Articles
Baidu academic
Similar articles in Baidu academic
[Peng, T]'s Articles
[Zhou, JJ]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Peng, T]'s Articles
[Zhou, JJ]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.