Evidence map›Paper›PMID 31783725›Full record

ArticleBMC bioinformatics2019

HKPocket: human kinase pocket database for drug design.

Huiwen Wang, Jiadi Qiu, Haoquan Liu, Ying Xu, Ya Jia, Yunjie Zhao

Abstract read
In one paragraph

Article in BMC bioinformatics, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.

0numbers the graph read from it
0cells of the map it votes in
12citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

12 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Review
  5. Review
  6. Article
  7. Strategy toward Kinase-Selective Drug Discovery.Journal of chemical theory and computation · 2023
    Article
  8. Review
  9. Article
  10. Article
  11. Article
  12. Druggable Transient Pockets in Protein Kinases.Molecules (Basel, Switzerland) · 2021
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Huiwen WangDepartment of Physics, Central China Normal University, Wuhan, 430079, China.
Jiadi QiuDepartment of Physics, Central China Normal University, Wuhan, 430079, China.
Haoquan LiuDepartment of Physics, Central China Normal University, Wuhan, 430079, China.
Ying XuDepartment of Physics, Central China Normal University, Wuhan, 430079, China.
Ya JiaDepartment of Physics, Central China Normal University, Wuhan, 430079, China.
Yunjie ZhaoDepartment of Physics, Central China Normal University, Wuhan, 430079, China. yjzhaowh@mail.ccnu.edu.cn.

Funding

National Natural Science Foundation of China 11704140National Natural Science Foundation of China 11775091Natural Science Foundation of Hubei 2017CFB116self-determined research funds of CCNU from the colleges' basic research and operation of MOE CCNU19QD008
6 · The paper itself

Abstract

backgroundThe 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.

resultsHere, we have developed HKPocket, a comprehensive Human Kinase Pocket database. This database provides sequence, structure, hydrophilic-hydrophobic, critical interactions, and druggability information including 1717 pockets from 255 kinases. We further divided these pockets into 91 pocket clusters using structural and position features in each kinase group. The pocket structural information would be useful for preliminary drug screening. Then, the potential drugs can be further selected and optimized by analyzing the sequence conservation, critical interactions, and hydrophobicity of identified drug pockets. HKPocket also provides online visualization and pse files of all identified pockets.

conclusionThe HKPocket database would be helpful for drug screening and optimization. Besides, drugs targeting the non-catalytic pockets would cause fewer side effects. HKPocket is available at http://zhaoserver.com.cn/HKPocket/HKPocket.html.

Indexed as

Databases, ProteinDrug DesignSoftwareAmino Acid SequenceBinding SitesHumansLigandsProtein ConformationProtein KinasesLigandsProtein KinasesDrug discoveryHuman kinase proteinsPocket databaseSide effects

Identifiers

PMID31783725
PMCPMC6884818

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.