[20a-P03-1~29] 12.6 Nanobiotechnology

[20a-P03-29] FMO interaction analysis between monoamine oxidase (MAO)-B and its ligands

〇(M1)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:

MAOB,FMO,Interaction analysis

In the previous presentation (2024 Spring Meeting), we reported on FMO interaction analysis taking into account structural fluctuations using MD for the complex of peroxisome proliferator-activated receptor (PPARγ) and pioglitazone. Here, we present the preliminary results of an analysis of the target protein as monoamine oxidase (MAO) B from the perspective of drug repositioning, focusing on the similarities and differences in pharmacophore interactions.