Item type |
SIG Technical Reports(1) |
公開日 |
2015-03-13 |
タイトル |
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タイトル |
<i>In silico</i> spleen tyrosine kinase inhibitor screening by chooseLD |
タイトル |
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言語 |
en |
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タイトル |
<i>In silico</i> spleen tyrosine kinase inhibitor screening by chooseLD |
言語 |
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言語 |
eng |
資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_18gh |
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資源タイプ |
technical report |
著者所属 |
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Department of Biological Science, Chuo University |
著者所属 |
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Department of Biological Science, Chuo University |
著者所属 |
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Department of Physics, Chuo University |
著者所属(英) |
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en |
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Department of Biological Science, Chuo University |
著者所属(英) |
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en |
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Department of Biological Science, Chuo University |
著者所属(英) |
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en |
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Department of Physics, Chuo University |
著者名 |
Hideaki, Umeyama
Mitsuo, Iwadate
Y-H., Taguchi
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著者名(英) |
Hideaki, Umeyama
Mitsuo, Iwadate
Y-H., Taguchi
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論文抄録 |
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内容記述タイプ |
Other |
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内容記述 |
Background: Spleen tyrosine kinase (SYK) is a protein related to various diseases. Aberrant SYK expression often causes the progression and initiation of several diseases including cancers and autoimmune diseases. Despite the importance of inhibiting SYK and identification of candidate inhibitors, no clinically effective inhibitors have been reported to date. Therefore, there is a need for novel SYK inhibitors. Results: Candidate compounds were investigated using in silico screening by chooseLD, which simulates ligand docking to proteins. Using this system, known inhibitors were correctly recognized as compounds with high affinity to SYK. Furthermore, many compounds in the DrugBank database were newly identified as having high affinity to ATP binding sites in the kinase domain with a similar affinity to previously reported inhibitors. Conclusions: Many drug candidate compounds from the DrugBank database were newly identified as inhibitors of SYK. Since compounds registered in DrugBank are expected to have fewer side effects than currently available compounds, these newly identified compounds might be clinically useful inhibitors of SYK for the treatment of various diseases. |
論文抄録(英) |
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内容記述タイプ |
Other |
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内容記述 |
Background: Spleen tyrosine kinase (SYK) is a protein related to various diseases. Aberrant SYK expression often causes the progression and initiation of several diseases including cancers and autoimmune diseases. Despite the importance of inhibiting SYK and identification of candidate inhibitors, no clinically effective inhibitors have been reported to date. Therefore, there is a need for novel SYK inhibitors. Results: Candidate compounds were investigated using in silico screening by chooseLD, which simulates ligand docking to proteins. Using this system, known inhibitors were correctly recognized as compounds with high affinity to SYK. Furthermore, many compounds in the DrugBank database were newly identified as having high affinity to ATP binding sites in the kinase domain with a similar affinity to previously reported inhibitors. Conclusions: Many drug candidate compounds from the DrugBank database were newly identified as inhibitors of SYK. Since compounds registered in DrugBank are expected to have fewer side effects than currently available compounds, these newly identified compounds might be clinically useful inhibitors of SYK for the treatment of various diseases. |
書誌レコードID |
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収録物識別子タイプ |
NCID |
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収録物識別子 |
AA12055912 |
書誌情報 |
研究報告バイオ情報学(BIO)
巻 2015-BIO-41,
号 9,
p. 1-6,
発行日 2015-03-13
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Notice |
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SIG Technical Reports are nonrefereed and hence may later appear in any journals, conferences, symposia, etc. |
出版者 |
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言語 |
ja |
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出版者 |
情報処理学会 |