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HKPocket: human kinase pocket database for drug design

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成果类型:
期刊论文
作者:
Wang, Huiwen;Qiu, Jiadi;Liu, Haoquan;Xu, Ying;Jia, Ya(贾亚);...
通讯作者:
Zhao, Yunjie
作者机构:
[Jia, Ya; Liu, Haoquan; Wang, Huiwen; Xu, Ying; Qiu, Jiadi; Zhao, Yunjie] Cent China Normal Univ, Dept Phys, Wuhan 430079, Hubei, Peoples R China.
通讯机构:
[Zhao, Yunjie] C
Cent China Normal Univ, Dept Phys, Wuhan 430079, Hubei, Peoples R China.
语种:
英文
关键词:
Pocket database;Human kinase proteins;Drug discovery;Side effects
期刊:
BMC Bioinformatics
ISSN:
1471-2105
年:
2019
卷:
20
期:
1
页码:
1-11
基金类别:
This work is supported by National Natural Science Foundation of China 11704140 (YZ), 11775091(YJ), Natural Science Foundation of Hubei 2017CFB116 (YZ), and financially supported by self-determined research funds of CCNU from the colleges’basic research and operation of MOE CCNU19QD008 (YZ). The funders had no role in the design of the study and collection, analysis, and interpretation of data and in writing the manuscript.
机构署名:
本校为第一且通讯机构
院系归属:
物理科学与技术学院
摘要:
BACKGROUND: The kinase pocket structural information is important for drug discovery targeting cancer or other diseases. Although some kinase sequence, structure or drug databases have been developed, the databases cannot be directly used in the kinase drug study. Therefore, a comprehensive database of human kinase protein pockets is urgently needed to be developed. RESULTS: Here, we have developed HKPocket, a comprehensive Human Kinase Pocket database. This database provides sequence, structure, hydrophilic-hydrophobic, critical interactions, and druggability information including 1717 pocket...

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