「Biophysics and Physicobiology」にKei Odai et al. “Ab-initio study of pyrrole ring deformation in the indole group of 5-HT interacting with water molecules”を掲載

2019年08月05日 学会誌

日本生物物理学会欧文誌［Biophysics and Physicobiology］に以下の論文が新規掲載されました。

Kei Odai, Tohru Sugimoto, Etsuro Ito “Ab-initio study of pyrrole ring deformation in the indole group of 5-HT interacting with water molecules”

【Significance】
Pyrrole ring deformation of 5-HT

The physiologic actions of 5-hydroxytryptamine (5-HT, serotonin) are multifaceted, and include control of feelings of well-being. To exert these various actions, the body has many 5-HT receptor subtypes and specific 5-HT transporters. Our ab-initio calculations revealed that 5-HT in aqueous solution is ionized and its indole group is deformed. These findings will be useful for designing 5-HT receptor and transporter agonists, antagonists, activators, and inhibitors.

Biophysics and Physicobiology, Vol.16, 127-131

URL: https://doi.org/10.2142/biophysico.16.0_127

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