『徳島大学 教育・研究者情報データベース (EDB)』---[学外] /
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登録内容 (EID=174236)

EID=174236EID:174236, Map:0, LastModified:2012年10月15日(月) 12:55:41, Operator:[大家 隆弘], Avail:TRUE, Censor:0, Owner:[宇都 義浩], Read:継承, Write:継承, Delete:継承.
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): Peer Review [継承]
カテゴリ (推奨): 研究 [継承]
共著種別 (推奨):
学究種別 (推奨):
組織 (推奨): 1.生命情報工学 (2006年4月1日〜2016年3月31日) [継承]
著者 (必須): 1.大倉 一人 ([名古屋大学])
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2.宇都 義浩 ([徳島大学.大学院社会産業理工学研究部.生物資源産業学域.応用生命系.応用生物資源学分野]/[徳島大学.生物資源産業学部.生物資源産業学科.応用生命講座])
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3.永澤 秀子 (岐阜薬科大学/->個人[紺世 秀子])
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4.堀 均
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題名 (必須): (英) Effect of molecular chirality and side chain bulkiness on angiogenesis of haloacetylcarbamoyl-2-nitroimidazole compounds  (日)    [継承]
副題 (任意):
要約 (任意): (英) BACKGROUND: Angiogenesis is required for tumor growth and metastasis, and is an exciting target for cancer treatment. We designed and synthesized antiangiogenetic TX agent (TX-1898, -1900), and analyzed their structural features. TXs have a chiral center and S- and R-enantiomers. Conformation analysis and molecular dynamics simulation were undertaken. Materials and METHODS: Molecular models of TXs were constructed using InsightlI-Discover. Conformation analysis was performed with CONFLEX, and z-matrix data were extracted to calculate molecular orbital (MO) parameters (i.e. solvation free energy (dGW)). Their molecular dynamics were simulated with the Discover3 module, and the total energy and dihedral angles were estimated. RESULTS: The methyl-including TXs (Group 1: TX-1863, -1878, -1866, -1879) had 130-229 conformers (-1.26-14.6 kcal/mol). The t-butyl-including group (Group 2: TX-1880, -1881, -1882, -1883) had 244 - 294 conformers (3.69 - 16. 76 kcal/mol), and the p-t-butylphenyl-containing TXs (Group 3: TX-1897, -1899, -1898, -1900) had 584 - 711 conformers (-7.48 -5.18 kcal/mol). The dGWprofile of nine samples, which were extracted from these conformers, were examined and one minimum dGW point was observed in the haloacetylcarbamoyl-2-nitroimidazole TXs (Group 1 -3). CONCLUSION: TX-1898 exhibited significant antiangiogenic activity. The order of antiangiogenic activity was as follows: TX-1898 (93% at 5 microg/pellet) > TX-1900 (82% at 5 microg/pellet) > TX-1897 (64% at 10 microg/pellet) > TX-1899 (58% at 10 microg/pellet). The chiral center has an important role for orienting the molecular characteristics.  (日)    [継承]
キーワード (推奨): 1. (英) Angiogenesis Inhibitors (日) (読) [継承]
2. (英) Animals (日) (読) [継承]
3. (英) Cell Proliferation (日) (読) [継承]
4. (英) Chick Embryo (日) (読) [継承]
5. (英) Computer Simulation (日) (読) [継承]
6. (英) Cyclohexanes (日) (読) [継承]
7. (英) Endothelium, Vascular (日) (読) [継承]
8. (英) Nitroimidazoles (日) (読) [継承]
9. (英) Protein Conformation (日) (読) [継承]
10. (英) Rats (日) (読) [継承]
11. (英) Sesquiterpenes (日) (読) [継承]
12. (英) Stereoisomerism (日) (読) [継承]
13. (英) Structure-Activity Relationship (日) (読) [継承]
発行所 (推奨):
誌名 (必須): Anticancer Research (International Institute of Anticancer Research(IIAR))
(pISSN: 0250-7005, eISSN: 1791-7530)

ISSN (任意): 0250-7005
ISSN: 0250-7005 (pISSN: 0250-7005, eISSN: 1791-7530)
Title: Anticancer research
Title(ISO): Anticancer Res.
Publisher: International Institute of Anticancer Research
 (NLM Catalog  (Scopus  (CrossRef (Scopus information is found. [need login])
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(必須): 27 [継承]
(必須): 6A [継承]
(必須): 3693 3700 [継承]
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年月日 (必須): 西暦 2007年 12月 初日 (平成 19年 12月 初日) [継承]
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DOI (任意):
PMID (任意): 17970030    (→Scopusで検索) [継承]
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WOS (任意): 000250267100005 [継承]
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備考 (任意): 1.(英) Article.Affiliation: Faculty of Pharmacy, Chiba Institute of Science, 3 Shiomi-cho, Choshi, Chiba, Japan. kohkura@sag.bekkoame.ne.jp  (日)    [継承]
2.(英) Article.PublicationTypeList.PublicationType: Comparative Study  (日)    [継承]
3.(英) Article.PublicationTypeList.PublicationType: Journal Article  (日)    [継承]
4.(英) MedlineDate: 2007 Nov-Dec  (日)    [継承]

標準的な表示

和文冊子 ● Kazuto Ohkura, Yoshihiro Uto, Hideko Nagasawa and Hitoshi Hori : Effect of molecular chirality and side chain bulkiness on angiogenesis of haloacetylcarbamoyl-2-nitroimidazole compounds, Anticancer Research, Vol.27, No.6A, 3693-3700, 2007.
欧文冊子 ● Kazuto Ohkura, Yoshihiro Uto, Hideko Nagasawa and Hitoshi Hori : Effect of molecular chirality and side chain bulkiness on angiogenesis of haloacetylcarbamoyl-2-nitroimidazole compounds, Anticancer Research, Vol.27, No.6A, 3693-3700, 2007.

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