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J-GLOBAL ID：202002231709702155   Reference number：20A0622742

Ab-initio study of pyrrole ring deformation in the indole group of 5-HT interacting with water molecules

水分子と相互作用する5-HTのインドール基におえるピロール環変形のab-initio研究

Author (4)： Odai Kei (School of Science and Engineering, Kokushikan University) ,  Sugimoto Tohru (College of Science and Engineering, Kanto Gakuin University) ,  Sugimoto Tohru (Deceased) ,  Ito Etsuro (Department of Biology, Waseda University)
Material： Biophysics and Physicobiology (Web)  (Biophys Physicobiology (Web))
Volume： 16  Page： 127-131(J-STAGE)  Publication year： 2019 
JST Material Number： U0030A  ISSN： 2189-4779  Document type： Article
Article type： 原著論文  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： calculation ,...
Semi thesaurus term： self-consistent field method ,...

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Author keywords (4)： 5-hydroxytryptamine ,  ab-initio calculation ,  optimization ,  self-consistent reaction field method

JST classification (4)： Biosubstance in general  (EB02010G) ,  Molecular structure  (EB03020Y) ,  Physicochemical characteristics of drugs  (GV01060M) ,  Biological function  (EB03040U)

Substance index (3)： Serotonin ,  Indole ,  Pyrrole

Reference (25)：

• [1] Cooper, J. R., Bloom, F. E. & Roth, R. H. The Biochemical Basis of Neuropharmacology, 8th ed. (Oxford University press, Oxford, 2002).
• [2] Pletscher, A., Shore, P. A. & Brodie, B. B. Serotonin as a mediator of reserpine action in brain. J. Pharmacol. Exp. Ther. 116, 84-89 (1956).
• [3] Andrews, P. W., Bharwani, A., Lee, K. R., Fox, M. & Thomson, J. A. Jr. Is serotonin an upper or a downer? The evolution of the serotonergic system and its role in depression and the antidepressant response. Neurosci. Biobehav. Rev. 51, 164-188 (2015).
• [4] Martin, A. M., Young, R. L., Leong, L., Rogers, G. B., Spencer, N. J., Jessup, C. F., et al. The diverse metabolic roles of peripheral serotonin. Endocrinology 158, 1049-1063 (2017).
• [5] Barnes, N. M. & Sharp, T. A review of central 5-HT receptors and their function. Neuropharmacology 38, 1083-1152 (1999).

Terms in the title (5)： 水分子 ,  相互作用 ,  インドール ,  ピロール ,  研究