The 143rd Annual Meeting of the Pharmaceutical Society of Japan (Sapporo)
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Session Details

Poster Presentation(B) Pharmaceutical Physics

[28P2-am1]Informatics, in silico chemistry (computational chemistry)/Structural biology/Others

Tue. Mar 28, 2023 9:00 AM - 10:40 AM JST
Tue. Mar 28, 2023 12:00 AM - 1:40 AM UTC
[Room P2] Gymnasium 1F

[28P2-am1-001]Investigation of effective data utilization of CYP inhibition data in public database and development of in silico prediction models

○Reiko Watanabe1, Hitoshi Kawashima2, Masataka Kuroda2,3, Kenji Mizuguchi1 (1. Institute of Protein Reserch, Osaka Unibiersity, 2. National Institutes of Biomedical Innovation, Health and Nutrition, 3. Discovery Technology Laboratories, Mitsubishi Tanabe Pharma Corporation)

[28P2-am1-002]Identification of the binding mode of the μ-opioid receptor allosteric ligand BMS-986122

○Noriyuki Yamaotsu1, Marina Yamamoto1, Nobutada Tanaka1 (1. Sch. Pharm., Kitasato Univ.)

[28P2-am1-003S]In silico model for predicting skin permeation of substances under its finite dose application.

○Ibuki Narita1, Chihiro Fujiwara1, Shoko Itakura1, Kenji Sugibayashi1,2, Hiroaki Todo1 (1. Fac. Pharm. Pharm. Sci., Josai Univ., 2. Josai int. Univ.)

[28P2-am1-004]A calculation method for molecular interaction fields describing halogen bonds in ligand-binding sites of proteins

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

[28P2-am1-005]Inhibitory activity of 2-phenylisoindolin-1-one analogues for monoamine oxidase

○Fuka Taniyama1, Fusei Oka1, Yuhzo Hieda2,1, Shoji Maehara1, Toshiyuki Hata1 (1. Fac. Pharm. Pharm. Sci., Fukuyama Univ., 2. Common Resour. Ctr., Fukuyama Univ.)

[28P2-am1-006]Prediction of inhibitory activity of Monoamine oxidase by machine learning

○Masayuki Toki1, Shoji Maehara1, Toshiyuki Hata1 (1. Fac. Pharm. Pharm. sci., Fukuyama Univ.)

[28P2-am1-007]Creating a Graph Neural Network for prediction of an inhibitory activity against SARS-CoV-2 main protease

○Mana Ohira1, Shoji Maehara1, Toshiyuki Hata1 (1. Fac Pharm. Pharm. Sci., Fukuyama Univ.)

[28P2-am1-008S]Binding simulation of Sialyl Leuwis X surrogate octapeptide and Selectin for improved selectivity

○Yuuka Shirahama1, Kaisei Motoyama1, Susumu Kawano1, Hiroaki Kaji1 (1. Shujitsu University School of Pharmacy)

[28P2-am1-009S]Development and performance evaluation of a machine learning-based model for predicting binding poses of RORγ inhibitors

○Daiki Fujioka1, Kentaro Kawai1, Yukiko Karuo1, Atsushi Tarui1, Kazuyuki Sato1, Masaaki Omote1 (1. Sch. Pharm. Sci., Setsunan Univ.)

[28P2-am1-010]Discovery of DPP8 inhibitors by in silico fragment mapping method

○Shin-ichiro Ozawa1, Momoka Yada1, Ruri Sasaki1, Nobutada Tanaka1 (1. Sch. Pharm., Kitasato Univ.)

[28P2-am1-011S]Understanding descriptor generation methods using the Encoder-Decoder model focused on compound structures

○Shunpei Nemoto1, Tadahaya Mizuno1, Hiroyuki Kusuhara1 (1. Grad. Sch. Pharm Sci., Univ of Tokyo.)

[28P2-am1-012]In silico screening of synthetic mid-sized molecule inhibiting protein-protein interaction involved in COVID-19 infection

○Tomoki Yonezawa1, Yugo Shimizu1, Kazuyoshi Ikeda1,2, Yuichiro Yamamoto3, Kohji Noguchi3, Shota Sakai4, Masayoshi Fukasawa4, Mariko Yokogawa1, Masanori Osawa1 (1. Fac. Pharm., Keio Univ., 2. RIKEN, 3. Fac. Pharm. Sci., TUS, 4. Dept. Biochem. Cell Biol., NIID)

[28P2-am1-013]Proposals for 'autonomous research' and considerations on 'autonomous drug discovery' (III)

○kohtaro Yuta1 (1. In Silico Data, Ltd.)

[28P2-am1-014S]Development of anisotropic mesenchymal stem cell sheet using patterned thermo-responsive cell culture dish

○Hasumi Kuramochi1, Hironobu Takahashi2, David Grainger3, Kenjiro Hanaoka1, Kenichi Nagase1 (1. Grad. Sch. Pharm. Sci., Keio Univ., 2. Inst. Adv. Biomed. Sci. Eng. Tokyo Women’s Med. Univ., 3. Univ. Utah, Dept. Bioeng.)

[28P2-am1-015]Research on the specific−recognition mechanism of the Fab antibody against the VQIINK sequence in tau

○Tomohiro Tsuchida1, Kanna Kobashigawa1, Takahiro Tsuchiya1, Katsushiro Miyamoto1, Katsuhiko Minoura1, Yasuko In1, Taizo Taniguchi2, Koji Tomoo1 (1. Osaka Medical and Pharmaceutical University, 2. Pharmacrea Kobe)

[28P2-am1-016S]Crystallization of podocin, associated with nephrotic syndrome

○Koki Ando1, Hideshi Yokoyama1 (1. Grad. Sch. Pharm. Sci., Tokyo Univ. Sci.)

[28P2-am1-017]Rational Studies for Weak Interaction in Protein thorough the Blue Copper Protein, Pseudoazurin Met16X mutants

○Takamitsu Kohzuma1, Takahide Yamaguchi1, Attila Taborosi1, Seiji Mori1 (1. Grad. Sch. Col. Sci. Engi., Ibaraki Univ.)

[28P2-am1-018]NMR-based drug design of the entry inhibitor of SARS-CoV-2 targeting the interaction between SARS-CoV-2 spike protein and hACE2

○Mariko Yokogawa1, Mahoro Horiuchi1, Syunki Kaneichi1, Taiga Otake1, Tomoki Yonezawa1, Yugo Shimizu1, Kazuyoshi Ikeda1,2, Yuichiro Yamamoto3, Shota Sakai4, Kohji Noguchi3, Masayoshi Fukasawa4, Masanori Osawa1 (1. Fac. Pharm., Keio Univ., 2. RIKEN, 3. Pharm. Sci., Tokyo Univ. of Sci., 4. NIID)

[28P2-am1-019]Crystallization and structure analysis of anion exchange domains using LCP method in human erythrocyte membrane protein Band 3

○Masaaki Kudo1, Keigo Takashima1, Rio Yano1, Hinako Hatae1, Hiroyuki Kuma1 (1. Grad. Sch. Pharm. Sci., Nagasaki international Univ.)

[28P2-am1-020S]Optimization of Crystallize conditions for Human Lysozyme using Thermal Shift Assay for High Resolution Crystallographyc analysis.

○Mai Tachibana1, Matsudate Aika1, Kikuti Ai1, Nakaya Misaki1, Kanno Haruka1, Sasaki Manaka1, Tahara Koujun1, Ohata Aoi1, Sakamoto Yasumitsu1, Nonaka Takamasa1 (1. Sch. Pharm., Iwate Med. Univ.)

[28P2-am1-021S]Development of Liquid Sample Observation Method for Pulse Electron Microscope

○Ryoya Katayama1, Takeru Yamasaki1, Tomoharu Matsumoto1, Akihiro Narita1 (1. Grad. Sch. Sci., Nagoya Univ.)

[28P2-am1-022S]Molecular mechanism of ANGPTL6 recognition by immune activation receptor LILRA2

○Jiaqi Wang1, Atsushi Furukawa1,2, Rika Yamazaki1, Kouyuki Hirayasu3,4, Tsuyoshi Kadomatsu5, Yuichi Oike5, Hisashi Arase3, Katsumi Maenaka1,6 (1. Pharm. Sci., Hokkaido Univ., 2. Pharm., Kanazawa Univ., 3. Res. Inst. Microbial Diseases, Osaka Univ., 4. Adv. Preventive. Med. Sci. Res. Center., Kanazawa Univ., 5. Med., Kumamoto Univ., 6. GSD, Hokkaido Univ.)

[28P2-am1-023S]Structural basis for the inhibition mechanism of hepatitis B virus infection by oolonghomobisflavan C

○Tomoaki Ishiba1, Mariko Yokogawa1, Terumi Yokota1, Masanori Osawa1 (1. Grad. Sch. Pharm. Sci., keio Univ.)

[28P2-am1-024]Analysis of the secretion mechanism of a soluble colonization factor of ETEC in response to environmental signals

○Masaki Orita1, Hiroya Oki2, Minato Iimori1, Tomoya Imai3, Shigeaki Matsuda2, Tetsuya Iida2,4, Takuya Yoshida5, Tadayasu Ohkubo4,5, Shota Nakamura2,4, Kazuki Kawahara4,5 (1. Sch. Pharm. Sci., Osaka Univ., 2. RIMD, Osaka Univ., 3. RISH, Kyoto Univ., 4. CiDER, Osaka Univ., 5. Grad. Sch. Pharm. Sci., Osaka Univ.)

[28P2-am1-025]Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase from the archaeon Aeropyrum pernix K1

○Yasuhito Iizuka1,2, Makiko Kikuchi2, Takahiro Yamauchi1,3, Masaru Tsunoda1,2 (1. Grad. Sch. Life Sci. Technol. , Iryo Sosei Univ., 2. Fac.Pharm., Iryo Sosei Univ., 3. Pharm., Fukushima Rosai Hosp.)

[28P2-am1-026]Structural study of the nuclear transporting mechanism of ZFTA-RelA fusion protein

○Sachiko Toma-Fukai1,2, Hiroaki Matsuura3, Naoki Sakai3, Kunio Hirata3, Yuki Matsuya2, Hikaru Shimizu2, Koki Hayama1, Shoma Imamura1, Ruri Kojima4, Toshiyuki Shimizu2, Hironari Kamikubo1, Daisuke Kawauchi5, Shinya Ohata2,4 (1. Grad. Sch. Sci. and Tech., NAIST, 2. Grad. Sch. Pharm. Sci., The Univ. of Tokyo, 3. RSC, 4. Musashino Univ., 5. NCNP)

[28P2-am1-027]Analyses of the interaction between lipocalin-type prostaglandin D synthase and its product

○Takaya Yamamoto1, Ren Masaki1, Shubin Qin1, Shigeru Shimamoto2, Kazuki Kawahara1, Takuya Yoshida1, Tadayasu Ohkubo1 (1. Grad. Sch. Pharm. Sci., Osaka Univ., 2. Fac. Sci. Engr., Kindai Univ.)

[28P2-am1-028S]Preparation and crystallization of CENP-E motor domain-inhibitor complex

○Akira Suzuki1, Asuka Shibuya1, Naohisa Ogo2, Jun-ichi Sawada2, Akira Asai2, Hideshi Yokoyama1 (1. Grad. Sch. Pharm. Sci., Tokyo University of Science, 2. Grad. Sch. Pharm. Sci., University of Shizuoka)

[28P2-am1-029]Dynamic analysis of conformational changes of hemagglutinin induced by pH decrease using high-speed atomic force microscopy

Takaki Akiyama1, ○Yifan Yang1,2, Hideo Fukuhara1, Katsumi Maenaka1 (1. Grad. Sch. Pharm. Sci., Hokkaido Univ., 2. Grad. Sch. Pharm. Sci., Kumamoto Univ.)

[28P2-am1-030]Porphyrins as DNA Topoisomerase I Inhibitors (2)

○Hiroki Munakata1, Ayane Matsuda1, Chika Hashidume1 (1. Faculty of Pharmaceutical Sciences, Hokuriku University)

[28P2-am1-031]Involvement of sulfite-derived radical production with colon inflammation in DSS-exposed mice

○Keiji Yasukawa1, Eisho Kozakura1, Taiki Sato1, Ayami Morimoto1, Ayaka Morisaki1, Tomoko Higuchi1, Yosuke Yamawaki1, Susumu Koyama1 (1. Fac. Pharm. Sci., Daiichi Univ. Pharm.)

[28P2-am1-032S]A formulation using insulin prodrug for avoiding hypoglycemia

○Mako Okabe1, Saeko Kitazawa1, Chisato Mori1, Miho Koita1, Minori Kojima1, Hiroki Koyama1, Satoshi Kitaoka1, Yuya Egawa1 (1. Pharm. Josai Univ.)
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