Session Details
[26PO1-pm1]Physical Chemistry-1/Biophysics-1/Informatics, in silico chemistry (computational chemistry)-1
Sat. Mar 26, 2022 1:30 PM - 3:10 PM JST
Sat. Mar 26, 2022 4:30 AM - 6:10 AM UTC
Sat. Mar 26, 2022 4:30 AM - 6:10 AM UTC
[Room PO1] Event Hall Bldg. 1: 1F
【説明時間】13:45～14:55
[26PO1-pm1-01]Self-association of Inclusion Complex of Cucurbit[7]uril with Diquat
○Hiroyuki Tsutsumi1, Rie Nakashima1, Tomonori Ohata1, Hirohito Ikeda1 (1. Fac. Pharm. Sci., Fukuoka Univ.)
[26PO1-pm1-02S]Encapsulation of cell growth factor using acid-responsive inclusion complex
○Reina Hyakutake1, Hiroyuki Tsutsumi1, Rie Nakashima1, Tomonori Ohata1, Hirohito Ikeda1 (1. Fac. Pharm. Sci., Fukuoka Univ.)
[26PO1-pm1-03]Study on Formation of Inclusion Complex between Promethazine Hydrochloride and Cucurbit[7]uril by 1H NMR
○Rie Nakashima1, Reika Miyagi1, Hiroyuki Tsutsumi1, Tomonori Ohata1, Hirohito Ikeda1 (1. Fac. Pharm. Sci., Fukuoka Univ.)
[26PO1-pm1-04S]Effect of Cyclodextrin Complex Formation on Solubility Changes of Each Drug by Intermolecular Interaction of Diclofenac and Famotidine
○Chihiro Tsunoda1, Kanako Shiono1, Takahiro Ksai1, Ryosuke Hiroshige1, Yuta Otsuka1, Satoru Goto1 (1. Faculty of Pharm. Sci., Tokyo Univ. of Sci.)
[26PO1-pm1-05]Constructions of molecular models explicitly describing electron distributions by the density fitting method
○Daichi Hayakawa1, Yurie Watanabe1, Hiroaki Gouda1 (1. Sch. Pharm., Showa Univ.)
[26PO1-pm1-06]Interaction energy between alprazolam and caffeine
○Masao Fujisawa1, Tomohiro Suzuki1, Hiroyuki Tsutsumi2, Tomonori Ohata2, Hirohito Ikeda2 (1. Dep. of Biosci., kindai University, 2. Fac. Pharm. Sci., Fukuoka University)
[26PO1-pm1-07S]Analysis of zinc finger-importin interaction in nuclear import of transcription factor Sp1
○Fumina Izukashi1, Jun Kuwahara1 (1. Doshisha Women’s University)
[26PO1-pm1-08S]Antioxidative defense mechanisms of Cu(II)/Cu(I)-binding peptides
○Ai Hamada1, Rea Kawakami1, Miki Ajima1, Takashi Miura1 (1. Dept. Pharm. Sci., Int. Univ. Health and Welfare)
[26PO1-pm1-09S]Development of apoE isoform detection system using novel anti-apoE monoclonal antibodies
○Koto Sakai1, Miyu Nakano1, Takashi Ohgita1, Izumi Morita2, Hiroyuki Oyama2, Norihiro Kobayashi2, Hiroyuki Saito1 (1. Kyoto Pharm. Univ., 2. Kobe Pharm. Univ.)
[26PO1-pm1-10S]Effect of N-terminal mutation on aggregation and fibril formation of human and mouse α-synuclein
○Hiroki Kono1, Mao Kamada1, Takashi Ohgita1, Hiroyuki Saito1 (1. Kyoto Pharm. Univ. )
[26PO1-pm1-11]Structural basis for the antibacterial drug development against the multidrug-resistant strain Stenotrophomonas maltophilia DPP7<gdiv></gdiv>
○Yasumitsu Sakamoto1, Akihiro Nakamura2, Yoshiyuki Suzuki2, Saori Roppongi3, Chisato Kushibiki1, Natsuri Yonezawa4, Masato Takahashi1, Yosuke Shida2, Hiroaki Gouda4, Takamasa Nonaka1, Nobutada Tanaka5, Wataru Ogasawara2 (1. Sch. Pharm. Iwate Med. Univ., 2. Dept. Eng. Nagaoka Univ. Tech., 3. Sch. Med. Iwate Med. Univ., 4. Sch. Pharm. Showa Univ., 5. Sch. Pharm. Kitasato Univ.)
[26PO1-pm1-12S]Mutational Analysis of domain-swapped dimer formation of human proteasome assembly chaperone PAC4
○Koshi Sakaida1, Masayo Mano1, Yuuka Akiyama1, Koutaro Kajiwara1, Akifumi Oda1,2, Eiji Kurimoto1 (1. Fac. Pharm. Meijo Univ., 2. Inst. Protein Res. Osaka Univ.)
[26PO1-pm1-13]Functional analysis of transcriptional activation domain of transcription factor Sp1
○Jun Kuwahara1, Yuina Tsumori1, Hoshino Masaru2, Katsumi Matsuzaki2 (1. Fac. Pharm. Sci., Doshisha Women's Univ., 2. Grad. Sch. Pharm. Sci., Kyoto Univ.)
[26PO1-pm1-14]Self-assembled nanodomains stacked on phospholipid monolayer
○Hiromichi Nakahara1, Krafft Marie Pierre2, Osamu Shibata3 (1. Department of Industrial Pharmacy, Daiichi University of Pharmacy, 2. Institut Charles Sadron (UPR 22), 3. Nagasaki International University)
[26PO1-pm1-15S]Phosphatidylserine externalization in the plasma membrane by transmembrane peptides
○Hiromichi Shimizu1, Hiroyuki Nakao2, Keisuke Ikeda2, Minoru Nakano2 (1. Fac. Pharm. Sci., Univ. Toyama, 2. Grad. Sch. Pharm. Sci., Univ. Toyama)
[26PO1-pm1-16]Effects of cationic liposomal surface charges on mast cells activation
○Yoshikazu Inoh1, Nanami Itoh1, Satoru Yokawa1, Tadahide Furuno1 (1. School of Pharmacy, Aichi Gakuin University)
[26PO1-pm1-17]Regulation mechanisms of actin dynamics by cross-linking and dissociation of Fc receptor in mast cells.
○Ruriko Suzuki1, Yoshikazu Inoh2, Satoru Yokawa2, Tadahide Furuno2, Naohide Hirashima1 (1. Grad. Sch. Pharm. Sci., Nagoya City Univ., 2. Sch. Pharm., Aichi Gakuin Univ.)
[26PO1-pm1-18S]Prediction of human skin permeation of cosmetic active ingredients from various formulations with three-dimensional cultured human skin models
○Ibuki Narita1, Shouhei Sekiguchi2, Hiroaki Todo1, Shoko Itakura1, Kenji Sugibayashi1,3 (1. Josai University Faculty of Pharmacy and Pharmaceutical Sciences Laboratory of Pharmaceutics and Cosmeceutics, 2. Roman Industry Corporation, 3. Josai International University)
[26PO1-pm1-19]Analysis of fibril formation process of α-synuclein mutants; A30P and A53E
○Murata Takuya1, Kojima Junya1, Ozawa Masashi1, Yoshine Naoka1, Tate Naoko1 (1. Fac. Pharm. Sci., Teikyo Univ.)
[26PO1-pm1-20S]Development of a fluorescence-labeled iron oxide nanoparticle targeting macrophage for theranostics of rheumatoid arthritis
○Kohei Kijima1, Kohei Sano1, Wakana Kataoka1, Miyo Torii1, Kouya Yamaki2, Yutaka Koyama2, Naoto Sasaki3, Toru Tanaka3, Yoshiyuki Rikitake3, Masayuki Munekane1, Toshihide Yamasaki1, Takahiro Mukai1 (1. Lab. Biophys. Chem., Kobe Pharm. Univ., 2. Lab. Pharmacol., Kobe Pharm. Univ., 3. Lab. Med. Pharm., Kobe Pharm. Univ.)
[26PO1-pm1-21]Visualization of cytokine secretion from mast cell using video-rate bioluminescence imaging
○Satoru Yokawa1, Risa Itoh1, Yoshikazu Inoh1, Shinji Fukuda2, Takahiro Suzuki2, Tadahide Furuno1 (1. Sch. Pharm. Aichi-Gakuin Univ., 2. Sch. Den. Aichi-Gakuin Univ.)
[26PO1-pm1-22]Development of a naphthalimide-based fluorescent probe for detection of metal ions
○Koji Tsukamoto1, Kazuki Nakahigashi1, Hatsuo Maeda1 (1. Sch. Pharm., Hyogo Univ. Health Sci.)
[26PO1-pm1-23]Rudimentary study on inhibitory action of antioxidants on sulfite radicals
○Keiji Yasukawa1, Daiki Hamano1, Eisho Kozakura1, Kota Matsuo1, Taiki Sato1, Susumu Koyama1 (1. Fac. Pharm. Sci., Daiichi Univ. Pharm.)
[26PO1-pm1-24]Characterization of polymerization-deficient actin mutants, D286R and D288R.
○Mitsusada Iwasa1,2, Kayo Maeda3, Akihiro Narita3, Yuichiro Maéda2, Toshiro Oda4 (1. Div. Pharm., Aoyama Hospital, 2. Grad. Informatics, Nagoya Univ., 3. Grad. Sci., Nagoya Univ., 4. Fac. Health and Welfare, Tokai Gakuin Univ.)
[26PO1-pm1-25]Elucidation of the inhibition mechanism of Tau self-aggregation by Tau antibody.
-Tau specific-recognition mechanism by Tau antibody-
○Tomohiro Tsuchida1, Kanna Kobashigawa1, Takahiro Tsuchiya1, Katsushiro Miyamoto1, Katsuhiko Minoura1, Yasuko In1, Shinji Takai1, Teruo Ueno1, Yoshihiko Fujioka1, Taizo Taniguchi2, Koji Tomoo1 (1. Osaka Medical and Pharmaceutical University, 2. Pharmacrea Kobe)
[26PO1-pm1-26S]Expression and purification of Podocin associated with nephrotic syndrome
○Koki Ando1, Hideshi Yokoyama1 (1. Grad. Sch. of Pharm. Sci., Tokyo Univ. of Sci.)
[26PO1-pm1-27]Structural and functional analyses of Charcot-Marie-Tooth disease-related myelin protein zero variants
○Masayoshi Sakakura1, Kazuhiro Mio2, Mikio Tanabe3, Hideo Takahashi1 (1. Grad. Sch. Med. Life Sci., Yokohama City Univ., 2. AIST-UTokyo operando OIL, 3. KEK, IMSS, SBRC )
[26PO1-pm1-28S]Structual analysis of human GC-B receptor extracellular domain by cryo-EM
○Hitomi Kondo1, Takumi Mino1, Masami Kodama2, Hiroaki Kato1,3, Haruo Ogawa1 (1. Grad. Sch. Pharm. Sci., Kyoto Univ., 2. Grad. Sch. Med., Juntendo Univ, 3. Riken. RSC)
[26PO1-pm1-29S]Analysis of ligand recognition mechanism by guanylate cyclase recetor
○Takumi Mino1, Hitomi Kondou1, Masami Kodama2, Hiroaki Katou1,3, Haruo Ogawa1 (1. Grad. Sch. Pharm. Sci., Kyoto Univ., 2. Grad. Sch. Med., Juntendo Univ., 3. Riken RSC)
[26PO1-pm1-30]Structural insight into the nuclear transport mechanism of PPARg
○Sachiko TOMA-FUKAI1, Yutaro Nakamura2, Toshiaki Teratani3, Akihiro Kawamoto4, Hikaru Shimizu2, Mika Hirose4, Koki Hayama1, shinya Ohata5, Yugo Hayashi1, Yoich Yamazaki1, Kenji Iwasaki4, Takayuki Kato4, Hironari Kamikubo1, Toshimasa Itoh6, Kengo Tomita7, Toshiyuki Shimizu2 (1. Grad. Sch. Sci. and Tech., NAIST, 2. Grad. Sch. Pharm. Sci., The Univ. of Tokyo, 3. DoM, Keio Univ., 4. IPR, Osaka Univ., 5. Fac. Pharm. Musashino Univ., 6. Showa Pharm. Univ., 7. NDMC)
[26PO1-pm1-31S]The role of multidrug transporter CmABCB1 residues in drug transport based on crystal structure
○Ryo Mizunuma1, Dongqing Pan1, Haruo Ogawa1, Hiroaki Kato1,2 (1. Grad. Sch. Pharm. Sci. Kyoto Univ., 2. RIKEN Harima Institute at SPring-8)
[26PO1-pm1-32S]Cryo-EM structure of ABC multidrug tranporter
○Shumpei Sakaguchi1, Ryo Mizunuma1, Haruo Ogawa1, Hiroaki Kato1,2 (1. Grad. Sch. Pharm. Sci. Kyoto Univ., 2. RIKEN Harima Institute at SPring-8)
[26PO1-pm1-33]Structural comparisons of binding-modes between 3 clinically approved fibrates and PPARα/δ/γ ligand-binding domains by X-ray crystallography
○Shotaro Kamata1, Akihiro Honda1, Yui Machida1, Kie Uchii1, Yui Shiiyama1, Risa Masuda1, Yuki Habu1, Nonoka Kashiwagi1, Takuji Oyama2, Isao Ishii1 (1. Lab. of Health Chem., Showa Pharm. Univ., 2. Faculty of Life and Enviro. Sci., Univ. of Yamanashi)
[26PO1-pm1-34]Analyses of protonation state of chromophore of the cyanobacterial photoreceptor protein
○Yusuke Iizuka1, Takayuki Nagae2, Hiroshi Aoyama1, Ryosuke Ijuin1, Yutaka Ito3, Yuu Hirose4, Masaki Mishima1 (1. Dep. Pharm, Tokyo Univ. of Pharm. and Life Sci., 2. Grad. Sch. Tech., Nagoya Univ., 3. Grad. Sch. Sci., Tokyo Metropolitan Univ., 4. Grad. Sch. Tech.)
[26PO1-pm1-36]The packing structure and crystallization of vitamin D receptor/co-activator peptide complex
○Nami Ohashi1, Shiori Nagata1, Yuna Matsumoto1, Shiori Naoshima1, Mami Yoshizawa1, Daichi Egawa1, Toshimasa Itoh1, Keiko Yamamoto1 (1. Laboratory of Drug Design and Medicinal Chemistry, Showa Pharmaceutical University)
[26PO1-pm1-37]Ligand de novo design and multi-parameter optimization using MOE-REINVENT interface
○Takashi Ikegami1, Yoshirou Kimura1 (1. MOLSIS Inc.)
[26PO1-pm1-38S]Classification and prediction of binding poses using machine learning:A case study on XOD
○daiki minami1, kentaro kawai1, yoshitaka asanuma1, toshiki kato1, yukiko karuo1, atsushi tarui1, kazuyuki sato1, masaaki omote1 (1. Sch. Pharm. Sci., Setsunan Univ.)
[26PO1-pm1-39]Building a Machine Learning Model for the Search of Novel Integrin α4β7 Inhibitors
○Kentaro Kawai1, Yume Machida1, Yukiko Karuo1, Atsushi Tarui1, Kazuyuki Sato1, Masaaki Omote1 (1. Sch. Pharm. Sci., Setsunan Univ.)
[26PO1-pm1-40]Comprehensive extraction of CYP inhibition data from public databases and development of in silico prediction models
○Reiko Watanabe1, Hitoshi Kawashima1, Masataka Kuroda1, Kenji Mizuguchi1,2 (1. NIBIOHN, 2. IPR, Osaka Univ.)
[26PO1-pm1-41]In silico analysis of synthetic mid-sized molecule inhibiting protein-protein interaction involved in COVID-19 infection
○Tomoki Yonezawa1, Yugo Shimizu1, Kazuyoshi Ikeda1,2, Yuichiro Yamamoto3, Koji 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)
[26PO1-pm1-42]Construction of binding model of E-selectin and Sialyl Lewis X mimicking octapeptide
○Susumu KAWANO1, Hiroaki KAJI1 (1. Sch. Pharm. Shujitsu Univ.)
[26PO1-pm1-43]Docking study on prediction of bioactivity for cannabinoid CB1 receptor ligands.
Materu Yuyama1, ○Yoshimi Ichimaru2, Yumimko Arai1, Takayuki Kanaya1, Tadaaki Sato1, Masahiko Funada3, Masaaki Kurihara2,4 (1. IUHW, 2. SUMS, 3. NCNP, 4. NIHS)
[26PO1-pm1-44]Ultra-large scale virtual screening of over 1 billion molecules using Orion platform and lead optimization tools offered in the Small Molecule Discovery Suite
○Chiharu Konda1, Mark McGann2, Alexandre Gross2, Christopher Bayly2, Gunther Stahl3 (1. OpenEye Japan, Inc., 2. OpenEye Scientific Software, Inc., 3. OpenEye Scientific Software Deutschland GmbH)
[26PO1-pm1-45]Investigation of the factors for the inhibition activity of ebselen and ebsulfur for SARS-CoV-2 main protease
Shoji Maehara1, Mari Kuwada1, Manami Kobayashi1, Yuhzo Hieda1, ○Toshiyuki Hata1 (1. Faculty of Pharmacy and Pharmaceutical Sci., Fukuyama University)
[26PO1-pm1-46S]Analysis of the interaction between MUC1 glycopeptide and anti-MUC1 antibody MY.1E12
○Ryoka Kokubu1, Hirohide Kuratani1, Takahashi Yuka1, Shiho Ohno1, Noriyoshi Manabe1, Hiroki Shimizu2, Yasunori Chiba2, Kaori Denda-Nagai3, Tsuiji Makoto4, Tatsuro Irimura3, Yoshiki Yamaguchi1 (1. Fac. Pharm. Sci., Tohoku Med. Pharm. Univ., 2. Natl. Inst. Adv. Ind. Sci. & Tech (AIST)., 3. Grad. Sch. Med., Juntendo Univ., 4. Dept. Microbiol., Hoshi Univ.)
[26PO1-pm1-47S]Effect of machine learning methods using imbalanced data on in-silico screening
○Itsuki Maeda1, Akinori Sato1, Shunsuke Tamura1, Tomoyuki Miyao1,2 (1. Grad. Sch. Sci. Tech., NAIST, 2. DSC, NAIST)
[26PO1-pm1-48S]The method of photography in 3D image creation of crude drug specimens by photogrammetry
○Yudai Higashida1, Kohei Nakano1, Tadahiro Yahagi1, Keiichi Matuzaki1, Koji Kobayashi1 (1. School of Pharmacy. Nihon Univ.)
[26PO1-pm1-49S]The method of image processing in 3D image creation of crude drug specimens by photogrammetry
○Kohei Nakano1, Yudai Higashida1, Tadahiro Yahagi1, Keiichi Matsuzaki1, Koji Kobayashi1 (1. School of Pharmacy, Nihon Univ.)
[26PO1-pm1-50S]Prediction of anti-herpes simplex virus type 1 (HSV-1) activity of flavonoids and search for active structure by using transfer learning
○Daiki Sakamoto1, Keiko Ogawa1, Seikou Nakamura2, Rumiko Hosoki1 (1. Grad. Sch. Pharm. Sci., Ritsumeikan Univ., 2. Grad. Sch. Pharm. Sci., Kyoto Pharmaceutical Univ.)