Design and synthesis of Rho kinase inhibitors (I)

…, K Fukushima, M Inagaki, M Amano, K Kaibuchi…

Index: Takami, Atsuya; Iwakubo, Masayuki; Okada, Yuji; Kawata, Takehisa; Odai, Hideharu; Takahashi, Nobuaki; Shindo, Kazutoshi; Kimura, Kaname; Tagami, Yoshimichi; Miyake, Mika; Fukushima, Kayoko; Inagaki, Masaki; Amano, Mutsuki; Kaibuchi, Kozo; Iijima, Hiroshi Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 9 p. 2115 - 2137

Full Text: HTML

Citation Number: 87

Abstract

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 ...