Probe staurosporine drug binding site on protein kinase by PFSC

被引:0
作者
Kun Zheng
Hong Yang
Xiaofei Zhao
Yang Jiang
Chuantao Sun
Jia’an Yang
机构
[1] Jilin Institute of Chemical Technology,Institute of Chemical and Biological Technology
[2] Micro Pharmatech,undefined
[3] Ltd.,undefined
[4] Sundia MediTech Company,undefined
[5] Ltd.,undefined
[6] Jilin Gongmao Xuexiao,undefined
来源
Chemical Research in Chinese Universities | 2014年 / 30卷
关键词
Staurosporine; Adenosine triphosphate(ATP)-binding site; Protein fold shape code(PFSC); Protein folding structural alignment(PFSA); Protein databank(PDB);
D O I
暂无
中图分类号
学科分类号
摘要
We used a new approach, protein folding shape code(PFSC), to predict the potential staurosporine binding sites in protein kinases. Firstly, all available three dimensioned(3D) structures of protein kinases in protein databank(PDB) were converted into one-dimensional PFSC description, based on which a PFSC-kinome library was constructed. Secondly, a set of protein kinase-staurosporine complexes were analyzed to define the common structural features of the binding sites. Thirdly, the structural features of the staurosporine binding sites were used to virtually screen the PFSC-kinome library to predict multiple protein receptors that have potential binding capacity for staurosporine. Collectively, the development of the similar method for predicting drug binding site demonstrates that virtual screening protein database can provide valuable information on drug discovery and understanding of pharmacological pathways.
引用
收藏
页码:644 / 649
页数:5
相关论文
共 45 条
  • [1] Yang S M(2007)undefined Bioorg. Med. Chem. Lett. 17 326-undefined
  • [2] Malaviya R(2005)undefined J. Med. Chem. 48 4138-undefined
  • [3] Wilson L J(2006)undefined Bioorg. Med. Chem. 14 4792-undefined
  • [4] Rockey W M(2009)undefined J. Antibiot. 62 17-undefined
  • [5] Elcock A H(2006)undefined Biochem. Bioph. Res. Co. 349 759-undefined
  • [6] Foloppe N(2008)undefined Proteins 71 1373-undefined
  • [7] Fisher L M(2007)undefined PloS Comput. Biol. 3 1783-undefined
  • [8] Howes R(2009)undefined J. Med. Chem. 52 379-undefined
  • [9] Potter A(2008)undefined Febs. J. 275 4033-undefined
  • [10] Nakano H(2011)undefined Chem. Res. Chinese Universities 27 474-undefined