| ○種別 (必須): | □ | 学術論文 (審査論文)
| [継承] |
| ○言語 (必須): | □ | 英語
| [継承] |
| ○招待 (推奨): |
| ○審査 (推奨): |
| ○カテゴリ (推奨): |
| ○共著種別 (推奨): |
| ○学究種別 (推奨): |
| ○組織 (推奨): |
| ○著者 (必須): | 1. | 吉田 達貞
| ○役割 (任意): |
| ○貢献度 (任意): |
| ○学籍番号 (推奨): |
| [継承] |
| 2. | (英) Lepp Zsolt (日) (読)
| ○役割 (任意): |
| ○貢献度 (任意): |
| ○学籍番号 (推奨): |
| [継承] |
| 3. | (英) Yoshito Kadota (日) (読)
| ○役割 (任意): |
| ○貢献度 (任意): |
| ○学籍番号 (推奨): |
| [継承] |
| 4. | (英) Yurie Satoh (日) (読)
| ○役割 (任意): |
| ○貢献度 (任意): |
| ○学籍番号 (推奨): |
| [継承] |
| 5. | (英) Kohji Itoh (日) (読)
| ○役割 (任意): |
| ○貢献度 (任意): |
| ○学籍番号 (推奨): |
| [継承] |
| 6. | 中馬 寛
| ○役割 (任意): |
| ○貢献度 (任意): |
| ○学籍番号 (推奨): |
| [継承] |
| ○題名 (必須): | □ | (英) Comparative Analysis of Binding Energy of Chymostatin with Human Cathepsin A and Its Homologous Proteins by Molecular Orbital Calculation (日)
| [継承] |
| ○副題 (任意): |
| ○要約 (任意): | □ | (英) Cathepsin A is a mammalian lysosomal enzyme that catalyzes the hydrolysis of the carboxy-terminal amino acids of polypeptides and also regulates beta-galactosidase and neuraminidase-1 activities through the formation of a multienzymic complex in lysosomes. Human cathepsin A (hCathA), yeast carboxypeptidase (CPY), and wheat carboxypeptidase II (CPW) belong to the alpha/beta-hydrolase fold family. They have structurally similar active-site clefts, but there are small differences in the amino acid residues comprising their active sites that might determine the substrate specificity and sensitivity to microbial inhibitors including chymostatin. To examine the selectivity and binding mechanism of chymostatin as to hCathA, CPY, and CPW at the atomic level, we analyzed the interaction energy between chymostatin and each protein quantitatively by semiempirical molecular orbital calculation AM1 with the continuum solvent model. We predicted the electrostatic repulsion between the P3 cyclic arginine residue of the inhibitor and the Arg344 in the S3 active subsite of hCathA. Genetic conversion of Arg344 of the wild-type hCathA to Ile also caused an increase in its sensitivity to chymostatin, which was correlated with the decrease in the interaction energy calculated with the molecular orbital method. The present results suggest that such molecular calculation should be useful for evaluating the interactions between ligands, including inhibitors and homologous enzymes, in their docking models. (日)
| [継承] |
| ○キーワード (推奨): | 1. | (英) Base Sequence (日) (読)
| [継承] |
| 2. | (英) Carboxypeptidases (日) (読)
| [継承] |
| 3. | (英) Cathepsin A (日) (読)
| [継承] |
| 4. | X線結晶学 (X-ray crystallography)
| [継承] |
| 5. | (英) DNA Primers (日) (読)
| [継承] |
| 6. | (英) Humans (日) (読)
| [継承] |
| 7. | (英) Models, Molecular (日) (読)
| [継承] |
| 8. | (英) Oligopeptides (日) (読)
| [継承] |
| 9. | (英) Protein Binding (日) (読)
| [継承] |
| ○発行所 (推奨): |
| ○誌名 (必須): | □ | Journal of Chemical Information and Modeling ([アメリカ化学会])
(pISSN: 1549-9596, eISSN: 1549-960X)
| ○ISSN (任意): | □ | 1549-9596
ISSN: 1549-9596
(pISSN: 1549-9596, eISSN: 1549-960X) Title: Journal of chemical information and modelingTitle(ISO): J Chem Inf ModelPublisher: American Chemical Society (NLM Catalog)
(Scopus)
(CrossRef)
(Scopus information is found. [need login]) | [継承] |
| [継承] |
| ○巻 (必須): | □ | 46
| [継承] |
| ○号 (必須): | □ | 5
| [継承] |
| ○頁 (必須): | □ | 2093 2103
| [継承] |
| ○都市 (任意): |
| ○年月日 (必須): | □ | 西暦 2006年 9月 初日 (平成 18年 9月 初日)
| [継承] |
| ○URL (任意): |
| ○DOI (任意): | □ | 10.1021/ci060093p (→Scopusで検索)
| [継承] |
| ○PMID (任意): | □ | 16995740 (→Scopusで検索)
| [継承] |
| ○CRID (任意): |
| ○WOS (任意): | □ | 000240701700025
| [継承] |
| ○Scopus (任意): | □ | 2-s2.0-33750299704
| [継承] |
| ○評価値 (任意): |
| ○被引用数 (任意): |
| ○指導教員 (推奨): |
| ○備考 (任意): | 1. | (英) Article.Affiliation: Institute of Health Biosciences, The University of Tokushima Graduate School, 1-78 Shomachi, Tokushima 770-8505, Japan. (日)
| [継承] |
| 2. | (英) Article.PublicationTypeList.PublicationType: Journal Article (日)
| [継承] |
| 3. | (英) Article.PublicationTypeList.PublicationType: Research Support, Non-U.S. Gov't (日)
| [継承] |
| 4. | (英) MedlineDate: 2006 Sep-Oct (日)
| [継承] |