Prediction of metabolic sites by CYP3A4 based on MD simulation and quantum chemistry

Teruki Honma

Presentation information

Symposium

Symposium18「The frontline of ADME related screening and in silico technology」

Sat. Nov 14, 2015 2:00 PM - 4:30 PM Room B (5ＦＳｍａｌｌＨａｌｌ)

Organizer・Chair:Toshiya Moriwaki(Drug Metabolism & Pharmacokinetics Research Laboratories, Takeda Pharmaceutical Company Limited), Chairs:Yoshimasa Kobayashi(Medical safety Research Laboratories, R&D Division, Daiichi Sankyo Co., Ltd.), Fumiyoshi Yamashita(Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University), Harutoshi Kato(DMPK Research Laboratory, Mitsubishi Tanabe Pharma Corporation)

[SY-18-05] Prediction of metabolic sites by CYP3A4 based on MD simulation and quantum chemistry

^○Teruki Honma , Hitomi Yuki (Structure-based Molecular Design Team, RIKEN Center for Life Sclence Technologies)

Chairs:Fumiyoshi Yamashita(Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University), Harutoshi Kato(DMPK Research Laboratory, Mitsubishi Tanabe Pharma Corporation)

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