Hirokawa Takatsugu

Affiliation

Faculty of Medicine

Official title

Professor

Research fields

Computational science

Chemical biology

Life / Health / Medical informatics

Drug development chemistry

Research keywords

バイオインフォマティクス、計算創薬、分子設計

Academic societies

2017-04 -- 2018-03	THE JAPANESE SOCIETY FOR BIOINFORMATICS
2017-04 -- 2018-03	THE BIOPHYSICAL SOCIETY OF JAPAN
2017-04 -- 2018-03	CHEM-BIO INFORMATICS SOCIETY

Articles

• Total Synthesis and Characterization of Thielocin B1 as a Protein－Protein Interaction Inhibitor of PAC3 Homodimer
  Doi Takayuki; Yoshida Masahito; Ohsawa Kosuke; Shin-ya Ka...
  Chemical Science/5/pp.1860-1868, 2014-01
• A small-molecule compound inhibits a collagen-specific molecular chaperone and could represent a potential remedy for fibrosis
  Ito Shinya; Ogawa Koji; Takeuchi Koh; Yoshida Masahito; T...
  The Journal of Biological Chemistry/292(49)/pp.20076-20085, 2017-12
• Structural insights into the differences among lactisole derivatives in inhibitory mechanisms against the human sweet taste receptor
  Nakagita Tomoya; Ishida Akiko; Matsuya Takumi; Kobayashi ...
  PloS one/14(3), 2019-03
  PubMed
• Porin Associates with Tom22 to Regulate the Mitochondrial Protein Gate Assembly
  Sakaue Haruka; Shiota Takuya; Ishizaka Naoya; Kawano Shin...
  Molecular cell/73(5)/p.1044-1055.e8, 2019-03
  PubMed
• Synthesis and Telomeric G-Quadruplex-Stabilizing Ability of Macrocyclic Hexaoxazoles Bearing Three Side Chains
  Ma Yue; Iida Keisuke; Sasaki Shogo; Hirokawa Takatsugu; H...
  Molecules (Basel, Switzerland)/24(2), 2019-01
  PubMed
• The Novel SFN Inhibitors Aprepitant and Ticagrelor Exert Anti-Tumor Effects Through Blocking of Oncoprotein Ubiquitination
  Shiba A.; Hong J.; Hirokawa T.; Kim Y.; Noguchil M.
  JOURNAL OF THORACIC ONCOLOGY/13(10::S)/pp.S519-S519, 2018-10
• Ligand binding to human prostaglandin E receptor EP at the lipid-bilayer interface
  Toyoda Yosuke; Morimoto Kazushi; Suno Ryoji; Horita Shoic...
  Nature chemical biology/15(1)/pp.18-26, 2019-01
  PubMed
• Development of G-quadruplex ligands for selective induction of a parallel-type topology
  Ma Yue; Tsushima Yamato; Sakuma Mai; Sasaki Shogo; Iida K...
  Organic & biomolecular chemistry/16(40)/pp.7375-7382, 2018-09
  PubMed
• A small-molecule compound inhibits a collagen-specific molecular chaperone and could represent a potential remedy for fibrosis
  Hirokawa Takatsugu; Ito S Ogawa K Takeuchi K Takagi M Yos...
  The Journal of Biological Chemistry/292(49)/pp.20076-20085, 2017-12
  PubMed
• Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA
  Suno Ryoji; Kimura Kanako Terakado; Nakane Takanori; Yama...
  Structure (London, England : 1993)/26(1)/pp.7-+, 2017-11
  PubMed
• Funiculosin variants and phosphorylated derivatives promote innate immune responses via the Toll-like receptor 4/myeloid differentiation factor-2 complex
  Okamoto Naoki; Mizote Keisuke; Honda Hiroe; Saeki Akinori...
  The Journal of biological chemistry/292(37)/pp.15378-15394, 2017-09
  PubMed
• Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
  Shinohara Yuta; Koyama Yohei M; Ukai-Tadenuma Maki; Hirok...
  Molecular cell/67(5)/p.783-798.e20, 2017-09
  PubMed
• An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes
  Chiba Shuntaro; Ishida Takashi; Ikeda Kazuyoshi; Mochizuk...
  Scientific reports/7(1), 2017-09
  PubMed
• Probing the Hydrophobic Binding Pocket of G-Protein-Coupled Lysophosphatidylserine Receptor GPR34/LPS1 by Docking-Aided Structure-Activity Analysis
  Sayama Misa; Inoue Asuka; Nakamura Sho; Jung Sejin; Ikubo...
  Journal of medicinal chemistry/60(14)/pp.6384-6399, 2017-07
  PubMed
• BDNF Binds Its Pro-Peptide with High Affinity and the Common Val66Met Polymorphism Attenuates the Interaction
  Uegaki Koichi; Kumanogoh Haruko; Mizui Toshiyuki; Hirokaw...
  International journal of molecular sciences/18(5), 2017-05
  PubMed
• Discovery of Novel Indazole Derivatives as Orally Available β3-Adrenergic Receptor Agonists Lacking Off-Target-Based Cardiovascular Side Effects
  Wada Yasuhiro; Nakano Seiji; Morimoto Akifumi; Kasahara K...
  Journal of medicinal chemistry/60(8)/pp.3252-3265, 2017-04
  PubMed
• MD simulation of the Tat/Cyclin T1/CDK9 complex revealing the hidden catalytic cavity within the CDK9 molecule upon Tat binding
  Asamitsu Kaori; Hirokawa Takatsugu; Okamoto Takashi
  PLOS ONE/12(2), 2017-02
  PubMed Tsukuba Repository
• The Effect of Conformational Flexibility on Binding Free Energy Estimation between Kinases and Their Inhibitors
  Araki Mitsugu; Kamiya Narutoshi; Sato Miwa; Nakatsui Masa...
  JOURNAL OF CHEMICAL INFORMATION AND MODELING/56(12)/pp.2445-2456, 2016-12
  PubMed

Books

• 構造データと分子シミュレーション技術によるインシリコ創薬支援研究
  広川 貴次
  Ensemble, The Molecular Simulation Society of Japan, pp.225-229, 2017-10
  CiNii

Conference, etc.

• Comparing ensembles of protein structures from molecular dynamics simulations in terms of residue-residue interaction
  Hirokawa Takatsugu; 千恵 本野
  The Asia Pacific Bioinformatics Conference (APBC) 2018/2018-01-15--2018-01-15
• 脂質リガンドのGPCRへの結合機構の解明のための膜誘導体合成と計算科学の融合研究
  広川 貴次; 佐山 美沙; 井上 飛鳥; 青木 淳賢; 関嶋 政和; 尾...
  日本薬学会　第138回年会/2018-03-25--2018-03-28
• Ligand binding site analysis with protein flexibility for fragment to lead optimization
  Hirokawa Takatsugu; 雅章 伊藤
  CBI 2017年大会/2017-10-03--2017-10-05
• レジデンスを考慮した構造情報と情報科学アプローチによる構造機能相関解析
  広川 貴次
  日本薬学会　第138回年会/2018-03-25--2018-03-28
• Ligand binding site analysis with protein flexibility for ligand docking, lead optimization and virtual screening
  Hirokawa Takatsugu
  13th International Conference of Computational Methods in Sciences and Engineering/2017-04-21--2017-04-25
• In silico Drug Discovery using Molecular Modeling and Simulation
  Hirokawa Takatsugu
  トランスボーダー医学研究センター国際シンポジウム/2017-06-17--2017-06-17
• GPCR構造決定後に求められるインシリコ解析について
  広川 貴次
  第20回　創薬インフォマティクス研究会/2017-09-26--2017-09-26
• 分子シミュレーションを活用したインシリコ創薬技術
  Hirokawa Takatsugu
  津田沼分子科学フォーラム/2016-10-15--2016-10-15
• 複数X線構造を利用したGPCRバーチャルスクリーニング
  Hirokawa Takatsugu
  第12回先進科学技術活用力養成講座　構造ベース創薬/2016-09-12--2016-09-12
• 分子シミュレーションによる創薬支援研究
  Hirokawa Takatsugu
  フォーラム富山　創薬　第43回研究会/2016-05-12--2016-05-12
• 構造データとケモバイオインフォマティクスを融合したネオバイオ分子設計
  Hirokawa Takatsugu
  第39回日本分子生物学会年会/2016-11-30--2016-12-02
• In silico 3D structure analysis of GPCRs
  Hirokawa Takatsugu
  第90回日本薬理学会年会/2017-03-15--2017-03-17

Intellectural property rights

• 抗がん剤
  広川 貴次; 野口 雅之; 柴 綾
  

Teaching

2018-10 -- 2018-12	新しい基礎医学における生命科学技術とがん・幹細胞	筑波大学
2017-10 -- 2017-12	新しい基礎医学における生命科学技術とがん・幹細胞	筑波大学
2018-10 -- 2018-12	Computational Structural Biology and Drug Discovery	University of Tsukuba.

Other educational activities

2017-10 -- 2018-01	遠隔インタラクティブ講義「計算生命科学の基礎IV」	神戸大学
2017-04 -- 2018-03	「医療・創薬データサイセンスコンソーシアム」人材育成研究	文部科学省

Talks

• 私のキャリアパスと研究内容
  Hirokawa Takatsugu
  三田国際学園中学・高等学校　キャリア教育講演会/2016-12-14--2016-12-14

Professional activities

2017-10 -- 2018-10	CHEM-BIO INFORMATICS SOCIETY	CBI学会2018年大会プログラム委員長
2015-04 -- 2019-03	CHEM-BIO INFORMATICS SOCIETY	CBIジャーナル編集委員
2016-10 -- 2017-10	CHEM-BIO INFORMATICS SOCIETY	CBI学会2017年大会実行委員長
2015-10 -- 2016-10	CHEM-BIO INFORMATICS SOCIETY	CBI学会2016年大会プログラム委員長

(Last updated: 2018-08-21)