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: Article査読

88 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English
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Published - 01-05-2004
外部発表はい

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

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