[16p-K402-1~15] 12.6 Nanobiotechnology

3:00 PM - 3:15 PM JST(6:00 AM - 6:15 AM UTC)

[16p-K402-8] Interaction analysis of thiazolidinedione ligands with receptor proteins

〇Daiki Arai¹, Hideo Doi¹, Koji Okuwaki^1,2, Yoshinori Hirano³, Eiji Yamamoto³, Kenji Yasuoka³, Kazuma Kaitoh⁴, Yoshihiro Yamanishi⁴, Yuji Mochizuki^1,5 (1.Rikkyo Univ., 2.JSOL., 3.Keio Univ., 4.Nagoya Univ., 5.Univ. Tokyo)

Keywords:

MAO-B,FMO,Interaction analysis

Monoamine oxidase B (MAO-B) is involved in the degradation of dopamine, and its inhibition contributes to the treatment of Parkinson's disease (PD). In this study, MM-MD simulations and FMO calculations were used to explore the MAO-B inhibitory effects of the TZD drugs Pioglitazone and Rosiglitazone, and interaction analysis was performed considering structural fluctuations. We also clarified the details of the various ligand-protein interactions by comparison with the PPAR- γ complex.