2012年4月
Dissecting kinase profiling data to predict activity and understand cross-reactivity of kinase inhibitors
Journal of Chemical Information and Modeling
- ,
- ,
- 巻
- 52
- 号
- 4
- 開始ページ
- 901
- 終了ページ
- 912
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1021/ci200607f
- 出版者・発行元
- AMER CHEMICAL SOC
The development of selective and multitargeted kinase inhibitors has received much attention, because crossreactivity with unintended targets may cause toxic side effects, while it can also give rise to efficacious multitargeted drugs. Here we describe a deconvolution approach to dissecting kinase profiling data in order to gain knowledge about cross-reactivity of inhibitors from large-scale profiling data. This approach not only enables activity predictions of given compounds on a kinome-wide scale, but also allows to extract residue-fragment pairs that are associated with activity. We demonstrate its effectiveness using a large-scale public chemogenomics data set and also apply our proposed model to a recently published bioactivity data set. We further illustrate that the preference of given compounds for kinases of interest is better understood by residue-fragment pairs, which could provide both biological and chemical insights into cross-reactivity. © 2012 American Chemical Society.
- リンク情報
-
- DOI
- https://doi.org/10.1021/ci200607f
- DBLP
- https://dblp.uni-trier.de/rec/journals/jcisd/NiijimaSO12
- J-GLOBAL
- https://jglobal.jst.go.jp/detail?JGLOBAL_ID=201202203488968683
- PubMed
- https://www.ncbi.nlm.nih.gov/pubmed/22414491
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000303038000004&DestApp=WOS_CPL
- Scopus
- https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84862018569&origin=inward
- Scopus Citedby
- https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=84862018569&origin=inward
- URL
- https://www.wikidata.org/entity/Q34194498
- URL
- https://dblp.uni-trier.de/db/journals/jcisd/jcisd52.html#NiijimaSO12
- ID情報
-
- DOI : 10.1021/ci200607f
- ISSN : 1549-9596
- eISSN : 1520-5142
- DBLP ID : journals/jcisd/NiijimaSO12
- J-Global ID : 201202203488968683
- PubMed ID : 22414491
- SCOPUS ID : 84862018569
- Web of Science ID : WOS:000303038000004