Design and synthesis of Rho kinase inhibitors (I)

Atsuya Takami, Masayuki Iwakubo, Yuji Okada, Takehisa Kawata, Hideharu Odai, Nobuaki Takahashi, Kazutoshi Shindo, Kaname Kimura, Yoshimichi Tagami, Mika Miyake, Kayoko Fukushima, Masaki Inagaki, Mutsuki Amano, Kozo Kaibuchi, Hiroshi Iijima

研究成果: ジャーナルへの寄稿学術論文査読

90 被引用数 (Scopus)

抄録

Several structurally unrelated scaffolds of the Rho kinase inhibitor were designed using pharmacophore information obtained from the results of a high-throughput screening and structural information from a homology model of Rho kinase. A docking simulation using the ligand-binding pocket of the Rho kinase model helped to comprehensively understand and to predict the structure-activity relationship of the inhibitors. This understanding was useful for developing new Rho kinase inhibitors of higher potency and selectivity. We identified several potent platforms for developing the Rho kinase inhibitors, namely, pyridine, 1H-indazole, isoquinoline, and phthalimide.

本文言語英語
ページ(範囲)2115-2137
ページ数23
ジャーナルBioorganic and Medicinal Chemistry
12
9
DOI
出版ステータス出版済み - 01-05-2004
外部発表はい

All Science Journal Classification (ASJC) codes

  • 生化学
  • 分子医療
  • 分子生物学
  • 薬科学
  • 創薬
  • 臨床生化学
  • 有機化学

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