The 146th Annual Meeting of the Pharmaceutical Society of Japan (Osaka)
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Session Details

Poster Presentation(B) Pharmaceutical Physics

[28-53-pm2]Informatics, Computational chemistry 4

Sat. Mar 28, 2026 3:30 PM - 5:30 PM JST
Sat. Mar 28, 2026 6:30 AM - 8:30 AM UTC
Room 53 (B306, Bldg. 1, Area 2 [3F])
Discusser: Sotaro Fuchigami, Takayoshi Kinoshita

[28-53-pm2-01]Mechanism of 5-phenylhydantoin racemization in phosphate buffer: Importance of interanion hydrogen bonding

○Ohgi Takahashi1 (1. Facul. Pharm. Sci., Shonan Univ. Med. Sci.)

[28-53-pm2-02S]Development of a small-molecule docking method using high-temperature molecular dynamics simulations and its application to SARS-CoV-2 Mpro inhibitors

○Shogo Sasaki1, Kenji Matsumoto2, Hinako Koze2, Toshiyuki Hamada2, Masanori Baba3, Mika Okamoto3, Masayuki Sudoh3, Takeshi Ishikawa2 (1. Sch. Eng., Kagoshima Univ., 2. Grad. Sch. Sci. and Eng., Kagoshima Univ., 3. Cent. Adv. Sci. Res. and Prom., Kagoshima Univ.)

[28-53-pm2-03S]Molecular Dynamics Simulations on Structural Changes of CYP1A2 Induced by Genetic Polymorphisms

○Hitomi Makino1, Ayato Mizuno1, Tomoki Nakayoshi1,2, Masahiro Hiratsuka3,4, Koichi Kato1,5, Akifumi Oda1 (1. Fac. Pharm., Meijo Univ., 2. Inst. Adv. Res., Nagoya Univ., 3. Grad. Sch. Pharm. Sci., Tohoku Univ., 4. INGEM, Tohoku Univ., 5. Fac. Pharm. Sci., Shonan Univ. Med. Sci.)

[28-53-pm2-04]Structural analysis and translocation free-energy profiling of a transmembrane peptide that induces lipid flipping

○Hiroaki Saito1, Taku Mizukami2, Tetsuya Morishita3, Hiroyuki Nakao4, Minoru Nakano4 (1. Faculty of Pharmaceutical Sciences, Hokuriku University, 2. Japan Advanced Institute of Science and Technology (JAIST), 3. National Institute of Advanced Industrial Science and Technology (AIST), 4. Faculty of Pharmaceutical Sciences, University of Toyama)

[28-53-pm2-05]Identification of SARS-CoV-2 main protease inhibitor candidates effective against resistant variants using hydration site analysis

○Tomoki Yoshida1, Aki Arai1, Tomoya Kai1, Nobutada Tanaka1 (1. Sch. Pharm., Kitasato Univ.)

[28-53-pm2-06]Computational analysis of interactions between the HN protein of human parainfluenza virus type 3 and difluorosialic acid derivatives

○Yuki Ashida1, Yu-Shi Tian1, Daisuke Takaya1, Kaori Fukuzawa1 (1. Grad. Sch. Pharm. Sci., The Univ. of Osaka)

[28-53-pm2-07S]Computational analysis of target protein identification for prostate cancer using an α-trifluoromethyl chalcone

○Natsuho Aoki1, Yohei Saito1, Masuo Goto1,2, Kyoko Nakagawa-Goto1,2, Shuichi Fukuyoshi1 (1. Fac. Pharm. Sci., Kanazawa Univ., 2. Fac. Pharm. Sci., North Carolina Univ.)

[28-53-pm2-08]Exhaustive analysis of the electronic states of dipeptides

○Masanori Yamanaka1 (1. CST., Nihon Univ)

[28-53-pm2-09S]Molecular Dynamics Study of the ASO–mRNA Duplex and Its Recognition by RNase H1

○Haruto Narita1, Kenji Yamagishi1,2 (1. Grad. Sch. Eng., Nihon Univ., 2. Coll. Eng., Nihon Univ.)

[28-53-pm2-10S]Structure-Activity Correlation Analysis of Aurora Kinase Using the Fragment Molecular Orbital Method

○Keigo Kawamoto1, Rikuto Osaki1, Junichi Shirakawa1, Yu-Shi Tian1, Daisuke Takaya1, Kaori Fukuzawa1 (1. Grad.Sch.Pharm.Sci., The Univ.of Osaka)
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