In silico drug design study targeting CRK-C3G interaction for future development of anticarcinogenic agent
Project/Area Number |
21590122
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Drug development chemistry
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Research Institution | Kitasato University |
Principal Investigator |
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Co-Investigator(Kenkyū-buntansha) |
GOUDA Hiroaki 北里大学, 薬学部, 准教授 (60276160)
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Co-Investigator(Renkei-kenkyūsha) |
YAMAOTSU Noriyuki 北里大学, 薬学部, 講師 (60230322)
NAKAGOME Izumi 北里大学, 薬学部, 助教 (30237242)
|
Project Period (FY) |
2009 – 2011
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Project Status |
Completed (Fiscal Year 2011)
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Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2011: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2010: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2009: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
|
Keywords | 抗ガン剤 / イン・シリコ分子設計 / 蛋白質-蛋白質相互作用 / 抗癌剤 / ドラッグデザイン / タンパク質間相互作用 / 医薬分子設計 / イン・シリコ創薬 / 蛋白-蛋白相互作用 / 抗ガン剤開発 |
Research Abstract |
The interaction between adapter protein CRK and guanine-nucleotide exchange protein C3G is an attractive target for the development of novel anticarcinogenic agent. Therefore, we explored inhibitors against this protein-protein interaction using a variety of in silico drug discovery technique.
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Report
(4 results)
Research Products
(47 results)
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[Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin2010
Author(s)
Hiroaki Gouda, Toshiaki Sunazuka, Tomoyasu Hirose, Kanami Iguchi, Noriyuki Yamaotsu, Akihiro Sugawara, Yoshihiko Noguchi, Yoshifumi Saito, Tsuyoshi Yamamoto, Takeshi Watanabe, Kazuro Shiomi, Satoshi Omura, Shuichi Hirono
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Journal Title
Bioorg. Med. Chem
Volume: 18(16)
Issue: 16
Pages: 5835-5844
DOI
Related Report
Peer Reviewed
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[Journal Article] Investigation of Beckett-Casy model 3 : Synthesis of novel naltrexone derivatives with contracted and expanded D-rings and their pharmacology2010
Author(s)
Hiroshi Nagase, Satomi Imaide, Miyuki Tomatsu, Shigeto Hirayama, Toru Nemoto, Noriko Sato, Mayumi Nakajima, Kaoru Nakao, Hidenori Mochizuki, Hiroaki Gouda, Shuichi Hirono, Hideaki Fujii
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Journal Title
Bioorg. Med. Chem. Lett
Volume: 20(12)
Issue: 12
Pages: 3801-3804
DOI
Related Report
Peer Reviewed
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[Journal Article] Drug design and synthesis of a novelκopioid receptor agonist with an oxabicyclo[2.2.2] octane skeleton and its pharmacology2010
Author(s)
Hiroshi Nagase, Akio Watanabe, Toru Nemoto, Noriyuki Yamaotsu, Kohei Hayashida, Mayumi Nakajima, Ko Hasebe, Kaoru Nakao, Hidenori Mochizuki, Shuichi Hirono, Hideaki Fujii
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Journal Title
Bioorg. Med. Chem. Lett
Volume: 20
Pages: 121-124
Related Report
Peer Reviewed
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[Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin2010
Author(s)
Gouda H, Sunazuka T, Hirose T, Iguchi K, Yamaotsu N, Sugawara A, Noguchi Y, Saito Y, Yamamoto T, Watanabe T, Shiomi K, Omura S, Hirono S
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Journal Title
Bioorg.Med.Chem.
Volume: 18
Pages: 5835-5844
Related Report
Peer Reviewed
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[Journal Article] Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin2009
Author(s)
Hiroaki Gouda, Shinichi Terashima, Kanami Iguchi, Akihiro Sugawara, Yoshifumi Saito, Tsuyoshi Yamamoto, Tomoyasu Hirose, Kazuro Shiomi, Toshiaki Sunazuka, Satoshi. mura, Shuichi Hirono
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Journal Title
Bioorg. Med. Chem
Volume: 17(17)
Issue: 17
Pages: 6270-6278
DOI
Related Report
Peer Reviewed
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[Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens2009
Author(s)
Hiroaki Gouda, Toshiaki Sunazuka, Kanami Iguchi, Akihiro Sugawara, Tomoyasu Hirose, Yoshihiko Noguchi, Yoshifumi Saito, Yuichi Yanai, Tsuyoshi Yamamoto, Takeshi Watanabe, Kazuro Shiomi, Satoshi. mura, Shuichi Hirono
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Journal Title
Bioorg. Med. Chem. Lett
Volume: 19(10)
Issue: 10
Pages: 2630-2633
DOI
Related Report
Peer Reviewed
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[Presentation] PPARγLBDと三環系PPARγパーシャルアゴニストの相互作用解析2012
Author(s)
中込泉, 豊岡尚樹, 峰平大輔, 竹田大輔, 加藤敦, 足立伊左雄, 松谷裕二, 川田耕司, 佐藤謙一, 山乙教之, 合田浩明, 広野修一
Organizer
日本薬学会第132年会
Place of Presentation
北海道
Year and Date
2012-03-30
Related Report
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[Presentation] TRNOE測定、コンピュータリガンドドッキングおよび結合自由エネルギー計算を組み合わせたキチナーゼBとArgifin由来ジペプチド阻害剤の相互作用解析2010
Author(s)
合田浩明, 砂塚敏明, 廣瀬友靖, 井口加奈美, 菅原章公, 野口吉彦, 斉藤佳史, 山本剛, 塩見和朗, 大村智, 広野修一
Organizer
第38回構造活性相関シンポジウム
Place of Presentation
徳島
Year and Date
2010-10-30
Related Report
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