2012 Fiscal Year Final Research Report
Elucidation of Protein-Ligand Interactions Using Neutron Diffraction
| Project/Area Number |
22390010
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical pharmacy
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| Research Institution | Japan Atomic Energy Agency |
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Principal Investigator |
KUROKI Ryota 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究主席 (30391246)
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| Co-Investigator(Kenkyū-buntansha) |
KIDOKORO Shun-ich 長岡技術科学大学, 工学部, 教授 (80195320)
TAMADA Taro 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究主幹 (50391248)
ADACHI Motoyasu 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究副主幹 (60293958)
OHHARA Takashi 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究副主幹 (60391249)
KURIHARA Kazuo 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究副主幹 (50354890)
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| Co-Investigator(Renkei-kenkyūsha) |
KIDOKORO Shun-ich 長岡技術科学大学, 工学部, 教授 (80195320)
TAMADA Taro 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究主幹 (50391248)
ADACHI Motoyasu 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究副主幹 (60293958)
KURIHARA Kazuo 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 研究副主幹 (50354890)
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| Project Period (FY) |
2010 – 2012
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| Keywords | タンパク質 / 中性子回折 / 創薬標的 / 水和水 / 阻害剤 / 分子設計 |
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| Research Abstract |
Tertiary structures including hydrogen and hydration structural information for the liganded and unliganded forms of a drug target protein were determined using neutron diffraction. Structural compatibilities between the drug-target protein and potent ligand, and the information for ionization state of catalytic residues and the hydration structure were clarified. This structural information is important to design potent inhibitors as drug candidates.
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[Journal Article] Seven cysteine- deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1.2012
Author(s)
Nakaniwa T, Fukada H, Inoue T, Gouda M, Nakai R, Kirii Y, Adachi M, Tamada T, Segawa S, Kuroki R, Tada T, Kinoshita T
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Journal Title
Biochemistry
Volume: 51
Pages: 8410-8421
DOI
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[Journal Article] Structure and function of delta1- tetrahydrocannabinolic acid (THCA) synthase, the enzyme controlling the psychoactivity of Cannabis sativa.2012
Author(s)
Shoyama Y, Tamada T, Kurihara K, Takeuchi A, Taura F, Arai S, Blaber M, Shoyama Y, Morimoto S, Kuroki R
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Journal Title
Journal of Molecular Biology
Volume: 423
Pages: 96-105
DOI
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