发明授权
US07792665B2 Method for designing a compound based on the three dimensional structure of phosphoinositide dependent protein kinase 1 (PDK1)
有权
基于磷酸肌醇依赖性蛋白激酶1（PDK1）的三维结构设计化合物的方法
- 专利标题： Method for designing a compound based on the three dimensional structure of phosphoinositide dependent protein kinase 1 (PDK1)
- 专利标题（中）： 基于磷酸肌醇依赖性蛋白激酶1（PDK1）的三维结构设计化合物的方法
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申请号： US10517225申请日： 2003-06-09
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公开(公告)号： US07792665B2公开(公告)日： 2010-09-07
- 发明人: Dario Alessi , Ricardo Biondi , David Komander , Daan Van Aalten
- 申请人： Dario Alessi , Ricardo Biondi , David Komander , Daan Van Aalten
- 申请人地址： GB London
- 专利权人： Medical Research Council
- 当前专利权人： Medical Research Council
- 当前专利权人地址： GB London
- 代理机构： Knobbe Martens Olson & Bear LLP
- 优先权： GB0213186.0 20020608
- 国际申请： PCT/GB03/02509 WO 20030609
- 国际公布： WO03/104481 WO 20031218
- 主分类号： G01N31/00
- IPC分类号： G01N31/00 ; G06F19/00 ; G06G7/48
摘要：
A method for selecting a compound for modulating the activity of phosphoinositide dependent protein kinase 1 (PDKI) is provided. The method may comprise modelling a three dimensional structure of a plurality of molecules in a computer, comparing with the three dimensional structure of the compounds with that of a reference structure such as at least part of a protein kinase catalytic domain of PDK1, and selecting the compound based on a predicted interacting ability of the molecules to the protein kinase catalytic domain. Also a method for selecting a compound for modulating the activity of hydrophobic pocket containing protein kinase is provided. In this method, the reference structures may be one or more of a phosphate binding pocket of PDK1, a hydrophobic pocket of PDK1, and αC helix or region interacting therewith of PDK1.