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Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O-Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses.
Takebe, Katsuki; Suzuki, Mamoru; Kuwada-Kusunose, Takao; Shirai, Satoko; Fukuzawa, Kaori; Takamiya, Tomoko; Uzawa, Narikazu; Iijima, Hiroshi.
Affiliation
  • Takebe K; Oral and Maxillofacial Surgery II, Osaka University Graduate School of Dentistry, Suita, Osaka 565-0871, Japan.
  • Suzuki M; Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan.
  • Kuwada-Kusunose T; School of Dentistry at Matsudo, Nihon University, 2-870-1 Sakaecho-nishi, Matsudo, Chiba 271-8587, Japan.
  • Shirai S; School of Pharmacy and Pharmaceutical Sciences, Hoshi University, Shinagawa, Tokyo 142-8501, Japan.
  • Fukuzawa K; School of Pharmacy and Pharmaceutical Sciences, Hoshi University, Shinagawa, Tokyo 142-8501, Japan.
  • Takamiya T; Graduate School of Pharmaceutical Sciences, Osaka University, 1-6 Yamadaoka, Suita, Osaka 565-0871, Japan.
  • Uzawa N; School of Pharmacy, Nihon University, 7-7-1 Narashinodai, Funabashi, Chiba 274-8555, Japan.
  • Iijima H; Oral and Maxillofacial Surgery II, Osaka University Graduate School of Dentistry, Suita, Osaka 565-0871, Japan.
J Chem Inf Model ; 63(14): 4468-4476, 2023 07 24.
Article in En | MEDLINE | ID: mdl-37436881
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Catechol O-Methyltransferase / Catechol O-Methyltransferase Inhibitors Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Document type: Article Affiliation country: Japón
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Catechol O-Methyltransferase / Catechol O-Methyltransferase Inhibitors Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Document type: Article Affiliation country: Japón