核内受容体リガンド機能を有する天然物化合物についての計算化学からの検討

杉本 廣之; 吉田 智喜; 相田 美砂子

doi:10.11545/ciqs.2012.0.P15.0

35th Symposium on Chemical Information and Computer Sciences, Hiroshima

DOI https://doi.org/10.11545/ciqs.2012.0.P15.0

Conference information

Host: Division of Chemical Information and Computer Science, The Chemical Society of Japan

Co-host: The Pharmaceutical Society of Japan, Japan Society for Bioscience, Biotechnology, and Agrochemistry, The Japan Society for Analytical Chemistry, Society of Computer Chemistry, Japan, Japanese Society for Information and Systems in Education (Approaval)

Poster Session

Natural products as candidates of nuclear receptor ligands

*Hiroyuki Sugimoto, Tomoki Yoshida, Misako Aida

Author information

Keywords: nuclear receptor, natural product, PPARγ

CONFERENCE PROCEEDINGS FREE ACCESS

Pages P15

Details

Abstract

We examine natural products which can be the ligand of nuclear receptor, PPARγ. The nuclear receptor PPARγ is activated by making a covalent bond with an electrophilic natural compound. As candidates of the PPARγ's ligands, we consider butenoic acid, cinnamic acid and decenoic acid, each of which is alpha, beta-unsaturated carboxylic acid. We find that they bind covalently to a cysteine residue in the PPARγ ligand binding pocket through a Michael addition reaction.

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