1:30 PM - 3:10 PM

[27PO9-pm1-01S] Preparation of cytocompatible phospholipid polymer bearing phenylboronic acid for non-invasive
cell adhesion and detachment

○Masaki Harada¹, Yuta Yoshizaki^1,2, Tomohiro Konno^1,2 (1. Facl.Pharm.Sci.,Tohoku Univ., 2. Grad.Pharm.Sci.,Tohoku Univ)

1:30 PM - 3:10 PM

[27PO9-pm1-02S] Investigation of the Interaction between β-Cyclodextrin and Ibuprofen Enantiomers Using Surface Plasmon Resonance and Molecular Dynamics Methods

○Nozomi Ino¹, Takayuki Furuishi¹, Koji Okuwaki^1,2, Kaori Fukuzawa¹, Tomohiro Endo³, Etsuo Yonemochi¹ (1. Sch. Pharm. and Pharm Sci., Hoshi Univ., 2. Rikkyo Univ., 3. Sch. Pharm., Tokyo Univ. Pharm. & Life Sci.)

1:30 PM - 3:10 PM

[27PO9-pm1-03] Characterization of novel colon-targeting polymeric prodrugs prepared by mechanochemical solid-state polymerization.

○Yukinori Yamauchi¹, Naoki Doi², Masayuki Kuzuya³, Yasushi Sasai⁴, Shin-ichi Kondo² (1. Matsuyama Univ., 2. Gifu Pharm. Univ., 3. Chubu Gakuin Univ., 4. Gifu Univ. Med. Sci.)

1:30 PM - 3:10 PM

[27PO9-pm1-04] Structural study on TIFA-dependent signalling in innate immunity

○Teruya Nakamura¹, Chiaki Ohyama², Madoka Sakamoto², Mihoko Matsuo¹, Mami Chirifu¹, Shinji Ikemizu¹, Jun-ichiro Inoue³, Yuriko Yamagata^1,4 (1. Grad. Sch. Pharm. Sci., Kumamoto Univ., 2. Sch. Pharm., Kumamoto Univ., 3. The Institute of Medical Science, The University of Tokyo, 4. Shokei Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-05S] Electrostatic Potentials around the Proteins Preferably Crystallized by Ammonium Sulfate

○GUO YAN¹, QU LIANG¹, Nishida Noritaka ¹, Hoshino Tyuji ¹ (1. Department of Physical Chemistry Graduate School of Pharmaceutical Sciences Chiba University)

1:30 PM - 3:10 PM

[27PO9-pm1-06] Computational predictions of three-dimensional structures of CYP2C8-amodiaquine complexes using molecular docking and molecular dynamics simulations

○Tomoki Nakayoshi^1,2,3, Koichi Kato^2,4,5, Eri Matsuura², Eiji Kurimoto², Masahiro Hiratsuka⁶, Yu Takano^1,7, Akifumi Oda^2,3,7 (1. Grad. Sch. Inf. Sci., Hiroshima City Univ., 2. Fac. Pharm., Meijo Univ., 3. Inst. Med. Pharm. Health Sci., Kanazawa Univ., 4. Fac. Pharm. Sci., Shonan Univ. Med. Sci., 5. Coll. Pharm. Kinjo Gakuin Univ., 6. Grad. Sch. Pharm., Tohoku Univ., 7. Inst. Protein Res., Osaka Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-07] Interaction analysis between PgDPP11 and an inhibitor NPPB using docking calculation and molecular dynamics simulation.

○Yurie Watanabe¹, Daichi Hayakawa¹, Hiroaki Gouda¹ (1. Sch. Pharm., Showa Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-08] Interaction analyses between threonyl-tRNA synthetase and its inhibitors by fragment molecular orbital calculations

○Yoshiharu Mori¹, Shigenori Tanaka¹ (1. Grad. Sch. Sys. Inf., Kobe Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-09] A research on the prediction of the drug metabolism catalyzed by CYP3A4 (4)

○Masayuki Hata¹, Nao Kawanishi¹, Marina Kamijyou¹, Daiki Yamaguchi¹, Risa Nomoto¹, Takafumi Futagawa¹, Yuuki Takeuchi¹ (1. College of Pharm. Sci., Matsuyama Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-10] Analysis of carbohydrate-binding recognition and dimer formation mechanism of MytiLec-1 based on theoretical chemical methods

○Tatsusada Yoshida¹, Yuki Fujii¹, Kanae Kawaguchi¹, Jun Nakano¹ (1. Fucl. Pharm. Sci., Nagasaki Int. Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-11] Virtual screening of TRIM24 inhibitors using hydration site analysis

○Tomoki Yoshida¹, Nobutada Tanaka¹ (1. Sch. Pharm., Kitasato Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-12] Development of rapid methods to predict patentability of new compounds generated in drug discovery process

○Yugo Shimizu¹, Masanori Osawa¹, Kazuyoshi Ikeda^1,2, Hitomi Yuki², Masateru Ohta², Teruki Honma² (1. Keio Univ. Fac. Pharm., 2. RIKEN)

1:30 PM - 3:10 PM

[27PO9-pm1-13] Comparison of the degree of severity of structural alerts to their proportion of existence through each drug discovery stage

○Hitomi Yuki¹, Teruki Honma¹ (1. RIKEN BDR)

1:30 PM - 3:10 PM

[27PO9-pm1-14] Fundamental study of ¹H NMR-based urinomics in breast cancer patients

○Kazuki Akira¹, Ayaka Nohara¹, Yukiko Kishimoto¹, Kosuke Akiyama¹, Hidemichi Mitome¹, Shigetoshi Yoshikawa², Kazumi Kanno³, Yuki Kikuuchi³, Seijin Nadano³ (1. College of Pharmaceutical Sciences, Matsuyama University, 2. Infocom, 3. Shikoku Cancer Center)

1:30 PM - 3:10 PM

[27PO9-pm1-15] COVID-19 genome sequence analysis using k-mer sequences not present in human coding and noncoding genes regions

○Satoshi Tokunaga¹, Yoshio Nakano¹, Satoru Miyazaki¹ (1. Fac. Pharm. Sci., Tokyo Univ. Sci.)

1:30 PM - 3:10 PM

[27PO9-pm1-16] Application of AlphaFold2 models to Template-Based Docking for protein complexes.

○Yasuomi Kiyota¹, Shinpei Kobayashi¹, Mayuko Takeda-Shitaka¹ (1. Sch. Pharm., Kitasato Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-17] Allosteric sites prefer positively-charged amino acid residues

○Noriyuki Yamaotsu¹, Risa Shigehara¹, Ryosuke Kimura¹, Nobutada Tanaka¹ (1. Sch. Pharm., Kitasato Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-18] Discovery of protein-protein interaction inhibitors by in silico fragment mapping method

○Shin-ichiro Ozawa¹, Yuma Kitamura¹, Shuichi Hirono¹, Nobutada Tanaka¹ (1. Sch. Pharm., Kitasato Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-19] The search for new PfDXR inhibitors using in silico fragment-mapping approach

○Izumi Nakagome¹, Momoko Hasegawa¹, Noriyuki Yamaotsu¹, Nobutada Tanaka¹ (1. Sch. Pharm., Kitasato Univ.)

1:30 PM - 3:10 PM

[27PO9-pm1-20S] Prediction of cyclodextrin derivative’s complexation free energy using machine learning

○Junya Nakamura¹, Hidetoshi Arima¹, Masaaki Katsuki¹, Mitsuru Irikura¹ (1. Laboratory of Evidence-Based Pharmacotherapy, School of Pharmacy, Daiichi University of Pharmacy)

Session information

[27PO9-pm1] Physical Chemistry-3/Biophysics-2/Informatics, in silico chemistry (computational chemistry)-2

[27PO9-pm1-01S] Preparation of cytocompatible phospholipid polymer bearing phenylboronic acid for non-invasive
cell adhesion and detachment

[27PO9-pm1-02S] Investigation of the Interaction between β-Cyclodextrin and Ibuprofen Enantiomers Using Surface Plasmon Resonance and Molecular Dynamics Methods

[27PO9-pm1-03] Characterization of novel colon-targeting polymeric prodrugs prepared by mechanochemical solid-state polymerization.

[27PO9-pm1-04] Structural study on TIFA-dependent signalling in innate immunity

[27PO9-pm1-05S] Electrostatic Potentials around the Proteins Preferably Crystallized by Ammonium Sulfate

[27PO9-pm1-06] Computational predictions of three-dimensional structures of CYP2C8-amodiaquine complexes using molecular docking and molecular dynamics simulations

[27PO9-pm1-07] Interaction analysis between PgDPP11 and an inhibitor NPPB using docking calculation and molecular dynamics simulation.

[27PO9-pm1-08] Interaction analyses between threonyl-tRNA synthetase and its inhibitors by fragment molecular orbital calculations

[27PO9-pm1-09] A research on the prediction of the drug metabolism catalyzed by CYP3A4 (4)

[27PO9-pm1-10] Analysis of carbohydrate-binding recognition and dimer formation mechanism of MytiLec-1 based on theoretical chemical methods

[27PO9-pm1-11] Virtual screening of TRIM24 inhibitors using hydration site analysis

[27PO9-pm1-12] Development of rapid methods to predict patentability of new compounds generated in drug discovery process

[27PO9-pm1-13] Comparison of the degree of severity of structural alerts to their proportion of existence through each drug discovery stage

[27PO9-pm1-14] Fundamental study of ¹H NMR-based urinomics in breast cancer patients

[27PO9-pm1-15] COVID-19 genome sequence analysis using k-mer sequences not present in human coding and noncoding genes regions

[27PO9-pm1-16] Application of AlphaFold2 models to Template-Based Docking for protein complexes.

[27PO9-pm1-17] Allosteric sites prefer positively-charged amino acid residues

[27PO9-pm1-18] Discovery of protein-protein interaction inhibitors by in silico fragment mapping method

[27PO9-pm1-19] The search for new PfDXR inhibitors using in silico fragment-mapping approach

[27PO9-pm1-20S] Prediction of cyclodextrin derivative’s complexation free energy using machine learning

Authentication