Gouda Hiroaki 合田浩明

… Alternative Names

GOUDA Hiroaki 合田浩明

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Researcher Number	60276160
Other IDs
Affiliation (Current)	2025: 昭和大学, 薬学部, 教授
Affiliation (based on the past Project Information) *help	2019 – 2023: 昭和大学, 薬学部, 教授 2013 – 2017: 昭和大学, 薬学部, 教授 2007 – 2012: Kitasato University, School of Pharmacy, Associate Professor 2006: 北里大学, 薬学部, 助教授 2003 – 2004: 北里大学, 薬学部, 助教授 1998 – 2001: 北里大学, 薬学部, 講師 1995 – 1996: 北里大学, 薬学部, 助手
Review Section/Research Field	Principal Investigator Physical pharmacy / Basic Section 47020:Pharmaceutical analytical chemistry and physicochemistry-related / Physical pharmacy Except Principal Investigator Physical pharmacy / Physical pharmacy / Drug development chemistry / Neurochemistry/Neuropharmacology
Keywords	Principal Investigator ドラッグデザイン / 阻害剤 / 結合自由エネルギー / ドッキング計算 / 結合自由エネルギー計算 / 分子ドッキング計算 / インスリン / 糖尿病 / SHIP2 / 分子動力学 … More / キチナーゼ / 弱い水素結合 / 量子化学 / イン・シリコ創薬 / 量子化学計算 / ハロゲン結合 / 分子相互作用場 / リガンド結合部位 / タンパク質 / 主要組織適合性複合体 / 粗視化モデル / 知識ベース / 抗原 / 主要組織適合遺伝子複合体 / 重症薬疹 / 免疫反応 / データベース / 相互作用 / 抗原ペプチド / HLA / ファーマコフォア / インシリコスクリーニング / アルツハイマー型認知症 / 相互作用エネルギー計算 / イン・シリコスクリーニング / 分子動力学シミュレーション / SBDD / 分子設計 / 抗真菌薬 / 喘息治療薬 / コノトキシン / 立体構造 / フォールディング / ドラックデザイン / 分子動力学計算 … More Except Principal Investigator NMR / TRNOE / SUPERPOSE / Molecular Dynamics / 結合配座 / Ligand-Based Drug Design / Site II / Site I / 分子重ね合わせ法 / サイトII / サイトI / ヒト血清アルブミン / CAMDAS / Binding Conformation / Human Serum Albumin / 抗癌剤 / 分子動力学法 / 阻害選択性の向上 / 構造安定性低下 / SNPs / 抗癌剤耐性克服 / 分子モデリング / 構造活性相関 / AKR1B10 / SNP / アルドケト還元酵素 / Maxadilan / アンタゴニスト / 核内受容体 / ケモカイン / 神経障害性疼痛 / 慢性疼痛 / 創薬 / マイクロアレイ / 脊髄後角 / アロディニア / PAC1受容体 / PACAP / Pharmacokinetics / 3D-pharmacophore / Transporter / 3D-QSAR / in silico screening / 薬物動態 / 三次元ファーマコフォア / トランスポータ / 三次元定量的構造活性相関 / ligand docking / homology modeling / HERG / OT prolongation / binding conformation / molecular superpose / conformational search / QT延長作用 / 分子重ね合わせ / 配座解析 / リガンドドッキング / ホモロジーモデリング / QT延長 / HERGチャネル / Docking / 分子動力額計算 / ドッキング / 分子動力学計算 / Protein Binding / HAS / タンパク結合 / 分子動力学計算法 / Conformation Analysis / 血清アルブミン / 立体配座解析 / 抗ガン剤開発 / 蛋白-蛋白相互作用 / イン・シリコ創薬 / 医薬分子設計 / タンパク質間相互作用 / ドラッグデザイン / 蛋白質-蛋白質相互作用 / イン・シリコ分子設計 / 抗ガン剤 / 複合体 / 阻害剤 / W-7 / TFP / カルモデュリン Less

量子化学計算に基づいたリガンド結合部位の分子相互作用場算出法の開発Principal Investigator
- Principal Investigator
  
  合田浩明
- Project Period (FY)
  2022 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 47020:Pharmaceutical analytical chemistry and physicochemistry-related
- Research Institution
  Showa University
Development of knowledge-based method for prediction of antigenic peptide binding to HLAPrincipal Investigator
- Principal Investigator
  
  Gouda Hiroaki
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 47020:Pharmaceutical analytical chemistry and physicochemistry-related
- Research Institution
  Showa University
Discovery of SHIP2 inhibitors for novel drugs against type 2 diabetes accompanying dementia of Alzheimer's typePrincipal Investigator
- Principal Investigator
  
  GOUDA Hiroaki
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Showa University
Elucidation of the mechanisms of chronic pain by PAC1 receptor and drug discovery.
- Principal Investigator
  
  TAKASAKI ICHIRO
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Neurochemistry/Neuropharmacology
- Research Institution
  University of Toyama
Development of novel anticancer agents targeting survival strategy of cancer cells
- Principal Investigator
  
  Endo Satoshi
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Drug development chemistry
- Research Institution
  Gifu Pharmaceutical University
In silico drug design of SHIP2 inhibitor as a novel therapeutic agent for diabetes.Principal Investigator
- Principal Investigator
  
  GOUDA Hiroaki
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Showa University
  Kitasato University
Optimization of chitinase inhibitor with macrolide scaffold based on in silico drug discovery techniquesPrincipal Investigator
- Principal Investigator
  
  GOUDA Hiroaki
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University
In silico drug design study targeting CRK-C3G interaction for future development of anticarcinogenic agent
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Drug development chemistry
- Research Institution
  Kitasato University
Computer-aided rational molecular design of novel chitinase inhibitorPrincipal Investigator
- Principal Investigator
  
  GOUDA Hiroaki
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University
3D-pharmacophore analyses of transporter ligands for drug discovery studies in consideration of pharmacokinetics
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University
Three-dimensional structure-activity relationships of drugs induced cardiovascular side effects (prolongation in the QT interval)
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  2003 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  School of Pharmaceutical sciences, Kitasato University
Determination of binding conformations of drugs to HAS and modeling of drug-HAS complex
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University
分子動力学シミュレーションによるカルモデュリン-阻害剤複合体の溶液構造解析
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  1998 – 1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  Kitasato University
Analysis of binding conformations of drugs to human serum albumin (site I and site II) by NMR measurements and computational calculations
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  1998 – 1999
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University
水溶液中の分子動力学計算に基づくα-コノトキシン類の立体構造決定Principal Investigator
- Principal Investigator
  
  合田浩明
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University
Determination of Binding Conformation of Drugs to Human Serum Albumin by Molecular Dynamics Calculations and Transferred Nuclear Overhauser Effect Measurements
- Principal Investigator
  
  HIRONO Shuichi
- Project Period (FY)
  1995 – 1996
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Kitasato University

[Journal Article] A molecular interaction field describing nonconventional intermolecular interactions and its application to protein-ligand interaction prediction2020
- Author(s)
  Daichi Hayakawa, Nahoko Sawada, Yurie Watanabe, Hiroaki Gouda
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 96 Pages: 107515-107515
- DOI
  10.1016/j.jmgm.2019.107515
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K07029, KAKENHI-PROJECT-18K14887
[Journal Article] In silico and pharmacological screening identify novel PAC1 receptor antagonists.2016
- Author(s)
  Watanabe A, Okada T, Fukuchi M, Gouda H, Kurihara T, Miyata A, Toyooka N, Takasaki I.
- Journal Title
  
  J Pharmacol Sci
  
  Volume: 30
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26430067
[Journal Article] Structure-activity relationships of flavonoids for carbonyl reductase 1 (CBR1) inhibition2015
- Author(s)
  Arai, Y., Endo, S., Miyagi, N., Abe, N., Miura, T., Nishinaka, T., Terada, T., Oyama, M., Goda, H., El-Kabbani, O., Hara, A., Matsunaga, T. and Ikari, A.
- Journal Title
  
  Fitoterapia
  
  Volume: 101 Pages: 51-56
- DOI
  10.1016/j.fitote.2014.12.010
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460149
[Journal Article] Synthesis of 8-hydroxy-2-iminochromene derivatives as selective and potent inhibitors of human carbonyl reductase 12015
- Author(s)
  Dawei Hu, Namiki Miyagi, Yuki Arai, Hiroaki Oguri, Takeshi Miura, Toru Nishinaka, Tomoyuki Terada, Hiroaki Gouda, Ossama El-Kabbani, Shuang, Xia, Naoki Toyooka, Akira Hara, Toshiyuki Matsunaga, Akira Ikari, Satoshi Endo
- Journal Title
  
  Org. Biomol. Chem.
  
  Volume: 13 Pages: 7487-7499
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26460149
[Journal Article] Three-dimensional quantitative structure-activity relationship analysis for human pregnane X Receptor for the prediction of CYP3A4 induction in human hepatocytes: structure-based comparative molecular field analysis.2015
- Author(s)
  Koichi Handa, Izumi Nakagome, Noriyuki Yamaotsu, Hiroaki Gouda, Shuichi Hirono.
- Journal Title
  
  Journal of Pharmaceutical Sciences
  
  Volume: 104 Issue: 1 Pages: 223-232
- DOI
  10.1002/jps.24235
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24590058
[Journal Article] コンピュータを利用したドラッグデザインの実際2015
- Author(s)
  Hiroaki Gouda
- Journal Title
  
  Journal of The Showa University Society
  
  Volume: 75 Issue: 3 Pages: 302-311
- DOI
  10.14930/jshowaunivsoc.75.302
- NAID
  130005111667
- ISSN
  2187-719X, 2188-529X
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K07900
[Journal Article] Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism.2014
- Author(s)
  Hiroshi Nagase, Ryo Nakajima, Naoshi Yamamoto, Shigeto Hirayama, Takashi Iwai, Toru Nemoto, Hiroaki Gouda, Shuichi Hirono, Hideaki Fujii.
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 24 Issue: 13 Pages: 2851-2854
- DOI
  10.1016/j.bmcl.2014.04.098
- NAID
  120007136687
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24590058
[Journal Article] In silico and pharmacological screenings identify novel serine racemase inhibitors.2014
- Author(s)
  Hisashi Mori, Ryogo Wada, Jie Li, Tetsuya Ishimoto, Mineyuki Mizuguchi, Takayuki Obita, Hiroaki Gouda, Shuichi Hirono, Naoki Toyooka.
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 24 Issue: 16 Pages: 3732-3735
- DOI
  10.1016/j.bmcl.2014.07.003
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24590058, KAKENHI-PROJECT-25293059, KAKENHI-PROJECT-26840018
[Journal Article] <i>In Silico</i> Study on the Inhibitory Interaction of Drugs with Wild-type CYP2D6.1 and the Natural Variant CYP2D6.172014
- Author(s)
  Koichi Handa, Izumi Nakagome, Noriyuki Yamaotsu, Hiroaki Gouda, Shuichi Hirono
- Journal Title
  
  Drug Metabolism and Pharmacokinetics
  
  Volume: 29 Issue: 1 Pages: 52-60
- DOI
  10.2133/dmpk.DMPK-13-RG-044
- NAID
  130004463344
- ISSN
  1347-4367, 1880-0920
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24590058
[Journal Article] Conformational folding of mycobacterial methoxy- and ketomycolic acids facilitated by α-methyl trans-cyclopropane groups rather than cis-cyclopropane units2013
- Author(s)
  Masumi Villeneuve,　Mizuo Kawai,　Kieko Horiuchi,　Motoko Watanabe,　Yutaka Aoyagi,　Yukio Hitotsuyanagi,　Koichi Takeya,　Hiroaki Gouda,　Shuichi Hirono,　David E. Minnikin
- Journal Title
  
  Microbiology
  
  Volume: 159 Issue: Pt_11 Pages: 2405-2415
- DOI
  10.1099/mic.0.068866-0
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24590058
[Journal Article] Human acidic mammalian chitinase as a novel target for anti-asthma drug design using in silico screening2013
- Author(s)
  Masaki Wakasugi, Hiroaki Gouda, Tomoyasu Hirose, Akihiro Sugawara, Tsuyoshi Yamamoto, Kazuro Shiomi, Toshiaki Sunazuka, Satoshi Omura, Shuichi Hirono
- Journal Title
  
  Bioorg Med Chem
  
  Volume: 21 Issue: 11 Pages: 3214-3220
- DOI
  10.1016/j.bmc.2013.03.047
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-23105012, KAKENHI-PUBLICLY-24102527, KAKENHI-PROJECT-24590058, KAKENHI-PROJECT-24790022, KAKENHI-PROJECT-25460020
[Journal Article] Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor2013
- Author(s)
  Hirose T, Maita N, Taniguchi H, Sharpless KB, Omura S, Sunazuka T
- Journal Title
  
  Proc.Natl.Acad.Sci. USA.
  
  Volume: 110 Issue: 40 Pages: 15892-15897
- DOI
  10.1073/pnas.1315049110
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22370042, KAKENHI-PLANNED-23105012, KAKENHI-PROJECT-23570139, KAKENHI-PUBLICLY-24102527, KAKENHI-PROJECT-24580104, KAKENHI-PROJECT-24590058, KAKENHI-PROJECT-24790022, KAKENHI-PROJECT-25460020
[Journal Article] Rational design and synthesis of 4-substituted 2-pyridin-2-ylamides with inhibitory effects on SH2 domain-containing inositol 5'-phosphatase 2 (SHIP2).2013
- Author(s)
  Ichihara Y, Fujimura R, Tsuneki H, Wada T, Okamoto K, Gouda H, Hirono S, Sugimoto K, Matsuya Y, Sasaoka T, Toyooka N.
- Journal Title
  
  Eur J Med Chem.
  
  Volume: 62 Pages: 649-660
- DOI
  10.1016/j.ejmech.2013.01.014
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23659774, KAKENHI-PROJECT-24390056, KAKENHI-PROJECT-24590058
[Journal Article] Synthesis of new opioid derivatives with a propellane skeleton and their pharmacology. Part 2 : Propellane derivatives with an amide side chain2012
- Author(s)
  Hiroshi Nagase, Junko Akiyama, Ryo Nakajima, Shigeto Hirayama, Toru Nemoto, Hiroaki Gouda, Shuichi Hirono, Hideaki Fujii
- Journal Title
  
  Bioorg. Med. Chem. Lett
  
  Volume: 22(8) Issue: 8 Pages: 2775-2779
- DOI
  10.1016/j.bmcl.2012.02.082
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122, KAKENHI-PROJECT-24590058
[Journal Article] Synthesis of new opioid derivatives with a propellane skeleton and their pharmacologies: Part 3, novel propellane derivatives with pentacyclic skeletons.2012
- Author(s)
  4. Hideaki Fujii, Ryo Nakajima, Junko Akiyama, Naoshi Yamamoto, Shigeto Hirayama, Toru Nemoto, Hiroaki Gouda, Shuichi Hirono, Hiroshi Nagase.
- Journal Title
  
  Bioorg. Med. Chem. Lett.
  
  Volume: 22 Issue: 24 Pages: 7697-7701
- DOI
  10.1016/j.bmcl.2012.09.102
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24590058
[Journal Article] Three-Dimensional Solution Structure of Bottromycin A2: A Potent Antibiotic Active against Methicillin-Resistant Staphylococcus aureus and Vancomycin-Resistant Enterococci2012
- Author(s)
  Hiroaki Gouda, Yutaka Kobayashi, Takeshi Yamada, Tetsuya Ideguchi, Akihiro Sugawara, Tomoyasu Hirose, Satoshi Omura, Toshiaki Sunazuka, Shuichi Hirono
- Journal Title
  
  Chemical and Pharmaceutical Bulletin
  
  Volume: 60 Issue: 2 Pages: 169-171
- DOI
  10.1248/cpb.60.169
- NAID
  130001852392
- ISSN
  0009-2363, 1347-5223
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122, KAKENHI-PROJECT-22790017, KAKENHI-PROJECT-23890202
[Journal Article] Essential structure of opioid κ receptor agonist nalfurafine for binding to the κ receptor 3: Synthesis of decahydro(iminoethano)phenanthrene derivatives with an oxygen functionality at the 3-position and their pharmacologies2012
- Author(s)
  Fujii, H.; Imaide, S.; Hirayama, S.; Nemoto, T.; Gouda, H.; Hirono, S.; Nagase, H.
- Journal Title
  
  Bioorg. Med. Chem. Lett.
  
  Volume: 22 Issue: 24 Pages: 7711-7714
- DOI
  10.1016/j.bmcl.2012.09.101
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23590133, KAKENHI-PROJECT-24590058
[Journal Article] Novel 12-membered non-antibiotic macrolides from erythromycin A ; EM900 series as novel leads for anti-inflammatory and/or immunomodulatory agents2011
- Author(s)
  Akihiro Sugawara, Akito Sueki, Tomoyasu Hirose, Kenichiro Nagai, Hiroaki Gouda, Shuichi Hirono, Hideaki Shima, Kiyoko S. Akagawa, Satoshi Omura, Toshiaki Sunazuka
- Journal Title
  
  Bioorg. Med. Chem. Lett
  
  Volume: 21(11) Issue: 11 Pages: 3373-3376
- DOI
  10.1016/j.bmcl.2011.04.004
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122, KAKENHI-PROJECT-22790017, KAKENHI-PROJECT-22890175
[Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin.2010
- Author(s)
  Hiroaki Gouda
- Journal Title
  
  Bioorg Med Chem.
  
  Volume: 18 Pages: 5835-5844
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046
[Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin2010
- Author(s)
  Gouda H, Sunazuka T, Hirose T, Iguchi K, Yamaotsu N, Sugawara A, Noguchi Y, Saito Y, Yamamoto T, Watanabe T, Shiomi K, Omura S, Hirono S
- Journal Title
  
  Bioorg.Med.Chem.
  
  Volume: 18 Pages: 5835-5844
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590122
[Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin2010
- Author(s)
  Hiroaki Gouda, Toshiaki Sunazuka, Tomoyasu Hirose, Kanami Iguchi, Noriyuki Yamaotsu, Akihiro Sugawara, Yoshihiko Noguchi, Yoshifumi Saito, Tsuyoshi Yamamoto, Takeshi Watanabe, Kazuro Shiomi, Satoshi Omura, Shuichi Hirono
- Journal Title
  
  Bioorg. Med. Chem
  
  Volume: 18(16) Issue: 16 Pages: 5835-5844
- DOI
  10.1016/j.bmc.2010.06.093
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122, KAKENHI-PROJECT-22590042, KAKENHI-PROJECT-22790017, KAKENHI-PROJECT-22890175
[Journal Article] Differential conformational behaviors ofα-mycolic acids in Langmuir monolayers and computer simulations2010
- Author(s)
  Masumi Villeneuve, Mizuo Kawai, Motoko Watanabe, Yutaka Aoyagi, Yukio Hitotsuyanagi, Koichi Takeya, Hiroaki Gouda, Shuichi Hirono, David E. Minnikin, Hiroo Nakahara
- Journal Title
  
  Chem. Phys. Lipids
  
  Volume: 163(6) Issue: 6 Pages: 569-579
- DOI
  10.1016/j.chemphyslip.2010.04.010
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122
[Journal Article] Investigation of Beckett-Casy model 3 : Synthesis of novel naltrexone derivatives with contracted and expanded D-rings and their pharmacology2010
- Author(s)
  Hiroshi Nagase, Satomi Imaide, Miyuki Tomatsu, Shigeto Hirayama, Toru Nemoto, Noriko Sato, Mayumi Nakajima, Kaoru Nakao, Hidenori Mochizuki, Hiroaki Gouda, Shuichi Hirono, Hideaki Fujii
- Journal Title
  
  Bioorg. Med. Chem. Lett
  
  Volume: 20(12) Issue: 12 Pages: 3801-3804
- DOI
  10.1016/j.bmcl.2010.04.044
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122
[Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens.2009
- Author(s)
  Hiroaki Gouda, et al.
- Journal Title
  
  Bioorg Med Chem Lett. 19
  
  Pages: 2630-2633
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590122
[Journal Article] Design and synthesis of novel delta opioid receptor agonists and their pharmacologies2009
- Author(s)
  Hiroshi Nagase, Yumiko Osa, Toru Nemoto, Hideaki Fujii, Masayuki Imai, Takeshi Nakamura, Toshiyuki Kanemasa, Akira Kato, Hiroaki Gouda, Shuichi Hirono
- Journal Title
  
  Bioorg. Med. Chem. Lett
  
  Volume: 19(10) Issue: 10 Pages: 2792-2795
- DOI
  10.1016/j.bmcl.2009.03.099
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122
[Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens2009
- Author(s)
  Gouda H, Sunazuka T, Iguchi K, Sugawara A, Hirose T, Noguchi Y, Saito Y, Yanai Y, Yamamoto T, Watanabe T, Shiomi K, Omura S, Hirono S
- Journal Title
  
  Bioorg. Med. Chem. Lett. 19(10)
  
  Pages: 2630-2633
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin.2009
- Author(s)
  Hiroaki Gouda, et al.
- Journal Title
  
  Bioorg Med Chem. 17
  
  Pages: 6270-6278
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590122
[Journal Article] Solid-phase total synthesis of the chitinase inhibitor Argadin using a supported acetal resin2009
- Author(s)
  Tomoyasu Hirose, Toshiaki Sunazuka, Akihiro Sugawara, Yoshihiko Noguchi, Toshiaki Tanaka, Kanami Iguchi, Tsuyoshi Yamamoto, Hiroaki Gouda, Kazuro Shiomi, Satoshi Omura
- Journal Title
  
  J. Antibiot
  
  Volume: 62(9) Issue: 9 Pages: 495-500
- DOI
  10.1038/ja.2009.57
- NAID
  10030636272
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046
[Journal Article] Design and synthesis of novel delta opioid receptor agonists and their pharmacologies2009
- Author(s)
  Nagase H, Osa Y, Nemoto T, Fujii H, Imai M, Nakamura T, Kanemasa T, Kato A, Gouda H, Hirono S
- Journal Title
  
  Bioorg. Med. Chem. Lett. 19(10)
  
  Pages: 2792-2795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] In silico創薬技術に基づくSBDDの実際.2009
- Author(s)
  広野修一、合田浩明
- Journal Title
  
  蛋白質核酸酵素 54
  
  Pages: 1590-1597
- Data Source
  KAKENHI-PROJECT-21590046
[Journal Article] In silico創薬技術に基づくSBDDの実際2009
- Author(s)
  広野修一、合田浩明
- Journal Title
  
  蛋白質核酸酵素 54
  
  Pages: 1590-1597
- Data Source
  KAKENHI-PROJECT-21590122
[Journal Article] Lys17 in the 'lasso' peptide lariatin A is responsible for anti-mycobacterial activity2009
- Author(s)
  Iwatsuki M, Koizumi Y, Gouda H, Hirono S, Tomoda H, Omura S.
- Journal Title
  
  Bioorg. Med. Chem. Lett.
  
  Volume: 19 Issue: 10 Pages: 2888-2890
- DOI
  10.1016/j.bmcl.2009.03.033
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20200037, KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122
[Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens.2009
- Author(s)
  Hiroaki Gouda
- Journal Title
  
  Bioorg Med Chem Lett. 19
  
  Pages: 2630-2633
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046
[Journal Article] Structure Determination and Total Synthesis of Bottromycin A2 : A Potent Antibiotic against MRSA and VRE2009
- Author(s)
  Shimamura H, Gouda H, Nagai K, Hirose T, Ichioka M, Furuya Y, Kobayashi Y, Hirono S, Sunazuka T, Omura S
- Journal Title
  
  Angew. Chem. -Int. Edit. 48
  
  Pages: 914-917
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Argifin efficient solid phase total synthesis and evaluation of analogues of acyclic peptide2009
- Author(s)
  Toshiaki Sunazuka, Akihiro Sugawara, Kanami Iguchi, Tomoyasu Hirose, Kenichiro Nagai, Yoshihiko Noguchi, Yoshifumi Saito, Tsuyoshi Yamamoto, Hideaki Ui, Hiroaki Gouda, Kazuro Shiomi, Takeshi Watanabe, Satoshi. mura.
- Journal Title
  
  Bioorg. Med. Chem
  
  Volume: 17(7) Issue: 7 Pages: 2751-2758
- DOI
  10.1016/j.bmc.2009.02.047
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046
[Journal Article] Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin.2009
- Author(s)
  Hiroaki Gouda
- Journal Title
  
  Bioorg Med Chem. 17
  
  Pages: 6270-6278
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046
[Journal Article] Structure-Based CoMFA As a Predictive Model-CYP2C9 Inhibitors As a Test Case2009
- Author(s)
  Yasuo K, Yamaotsu N, Gouda H, Tsujishita H, Hirono S
- Journal Title
  
  J. Chem. Inf. Model 49(4)
  
  Pages: 853-864
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens2009
- Author(s)
  Hiroaki Gouda, Toshiaki Sunazuka, Kanami Iguchi, Akihiro Sugawara, Tomoyasu Hirose, Yoshihiko Noguchi, Yoshifumi Saito, Yuichi Yanai, Tsuyoshi Yamamoto, Takeshi Watanabe, Kazuro Shiomi, Satoshi. mura, Shuichi Hirono
- Journal Title
  
  Bioorg. Med. Chem. Lett
  
  Volume: 19(10) Issue: 10 Pages: 2630-2633
- DOI
  10.1016/j.bmcl.2009.04.013
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122
[Journal Article] Argifin ; Efficient Solid Phase Total Synthesis and Evalution of Analogues of Acyclic Peptide2009
- Author(s)
  Sunazuka T, Sugawara A, Iguchi K, Hirose T, Nagai K, Noguchi Y, Saito Y, Yamamoto T, Ui H, Gouda H, Shiomi K, Watanabe T, Omura S
- Journal Title
  
  Bioorg. Med. Chem. 17(7)
  
  Pages: 2751-2758
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin2009
- Author(s)
  Hiroaki Gouda, Shinichi Terashima, Kanami Iguchi, Akihiro Sugawara, Yoshifumi Saito, Tsuyoshi Yamamoto, Tomoyasu Hirose, Kazuro Shiomi, Toshiaki Sunazuka, Satoshi. mura, Shuichi Hirono
- Journal Title
  
  Bioorg. Med. Chem
  
  Volume: 17(17) Issue: 17 Pages: 6270-6278
- DOI
  10.1016/j.bmc.2009.07.045
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21590046, KAKENHI-PROJECT-21590122
[Journal Article] Lys17 in the 'lasso' peptide lariatin A is responsible for anti-mycobacterial activity2009
- Author(s)
  Iwatsuki M, Koizumi Y, Gouda H, Hirono S, Tomoda H, Omura S
- Journal Title
  
  Bioorg. Med. Chem. Lett. 19(10)
  
  Pages: 2888-2890
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] In silico multi-filter screening approaches for developing novel β -secretase inhibitors2008
- Author(s)
  Fujimoto T, Matsushita Y, Gouda H, Yamaotsu N, Hirono S
- Journal Title
  
  Bioorg. Med. Chem. Lett. 18(9)
  
  Pages: 2771-2775
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Computational Analysis of the Binding Affinities of the Natural-Product Cyclopentapeptides Argifin and Argadin to Chitinase B from Serratia marcescens.2008
- Author(s)
  Hiroaki Gouda
- Journal Title
  
  Bioorg. Med. Chem. 16
  
  Pages: 3565-3579
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Computational Analysis of the Binding Affinities of the Natural-Product Cyclopentapeptides Argifin and Argadin to Chitinase B from Serratia marcescens2008
- Author(s)
  Gouda H, Yanai Y, Sugawara A, Sunazuka T, ?mura S, Hirono S.
- Journal Title
  
  Bioorg. Med. Chem. 16(7)
  
  Pages: 3565-3579
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] MM-PBSA法を用いたキチナーゼ阻害剤ArgadinおよびArgifinの結合自由エネルギー計2008
- Author(s)
  合田浩明, 柳井雄一, 広野修一
- Journal Title
  
  Pharma VISION NEWS No.11(March)
  
  Pages: 7-11
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Conformational behavior of oxygenated mycobacterial mycolic acids from Mycobacterium bovis BCG2007
- Author(s)
  Villeneuve M, Kawai M, Watanabe M, Aoyagi Y, Hitotsuyanagi Y, Takeya K, Gouda H, Hirono S, Minnikin DE, Nakahara H
- Journal Title
  
  Biochim. Biophys. Acta. 1768(7)
  
  Pages: 1717-26
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19590043
[Journal Article] Lariatins, Antimycobacterial Peptides Produced by Rhodococcus sp. K101-B0171, Have a Lasso Structure2006
- Author(s)
  Iwatsui M., Tomoda H., Uchida R., Gouda H., Hirono S., Omura S.
- Journal Title
  
  J. Am. Chem. Soc. 128(23)
  
  Pages: 7486-7491
- Data Source
  KAKENHI-PROJECT-18590037
[Journal Article] Three-dimensional solution structure of EM703 with potent promoting activity of monocyte-to-macrophage differentiation2006
- Author(s)
  Gouda H., Sunazuka T., Yoshida K., Sugawara A., Sakoh Y., Omura S., Hirono S.
- Journal Title
  
  Bioorganic ＆ Medicinal Chemistry Letters 16(9)
  
  Pages: 2496-2499
- Data Source
  KAKENHI-PROJECT-18590037
[Journal Article] A novel phosphatidylinositol-3-kinase inhibitor, ZATK474, with potent antitumor activity and low toxicity2006
- Author(s)
  Yaguchi S., Fukui Y., Koshimizu I., Yoshimi H., Matsuo T., Gouda H., Hirono S., Yamazaki K., Yamori T
- Journal Title
  
  J. the National Cancer Institute 98(8)
  
  Pages: 545-556
- Data Source
  KAKENHI-PROJECT-18590037
[Presentation] タンパク質鍵穴のハロゲン結合サイトをマッピングする計算法の妥当性評価2023
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  第51回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-22K06563
[Presentation] タンパク質リガンド結合部位のハロゲン結合形成可能領域を記述する分子相互作用場計算法2023
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  薬学会第143年会
- Data Source
  KAKENHI-PROJECT-22K06563
[Presentation] 量子化学計算により決定した近似関数によるタンパク質鍵穴のハロゲン結合形成可能領域のマッピング法2022
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  第50回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-22K06563
[Presentation] 物理化学的性質を表す特性球に基づいたHLA-抗原ペプチド相互作用のデータベース構築と解析2021
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  日本薬学会第141年会
- Data Source
  KAKENHI-PROJECT-19K07029
[Presentation] ハロゲン結合や弱い水素結合を記述可能な分子相互作用場計算法の構築2018
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  日本薬学会第138年会
- Data Source
  KAKENHI-PROJECT-15K07900
[Presentation] 新規鎮痛薬の開発を目指した核内受容体Nr4a1アンタゴニストの創製2017
- Author(s)
  磯芹奈，高原理行，合田浩明，宮田篤郎，栗原崇，豊岡尚樹，髙﨑一朗
- Organizer
  第90回日本薬理学会年会
- Place of Presentation
  長崎ブリックホールほか
- Year and Date
  2017-03-15
- Data Source
  KAKENHI-PROJECT-26430067
[Presentation] ドッキング計算を用いた薬剤性過敏症候群を引き起こすレクチゾールとHLAの結合様式解析2015
- Author(s)
  日下部吉男, 渡辺秀晃, 莚田泰誠, 合田浩明
- Organizer
  日本薬学会第135年会
- Place of Presentation
  神戸サンボーホール（兵庫県、神戸市）
- Year and Date
  2015-03-27
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] In silico screening for selective inhibitors for SHIP2 as a novel anti-diabetic drug2015
- Author(s)
  Shin-ichiro Ozawa, Hiroaki Gouda, Shuichi Hirono
- Organizer
  The 43rd Symposium on Structural Activity Relationship 2015 & The 10th Japan-China Joint Symposium on Drug Discovery and Development
- Place of Presentation
  Niigata, Japan
- Year and Date
  2015-09-28
- Data Source
  KAKENHI-PROJECT-15K07900
[Presentation] In silico screening for selective inhibitors of SHIP2 as a novel therapeutic agent for diabetes2015
- Author(s)
  Shin-ichiro Ozawa, Hiroaki Gouda, Shuichi Hirono
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2015（PACIFICHEM 2015）
- Place of Presentation
  Honolulu, USA
- Year and Date
  2015-12-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K07900
[Presentation] インスリンシグナル増強作用を示す新規化合物CPDAのSHIP2阻害能評価2015
- Author(s)
  梅田知伸、山田彩華、田中信忠、小澤新一郎、広野修一、笹岡利安、豊岡尚樹、合田浩明
- Organizer
  日本薬学会第135年会
- Place of Presentation
  デザイン・クリエイティブセンター神戸（兵庫県、神戸市）
- Year and Date
  2015-03-28
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 新規糖尿病治療薬としての選択的SHIP2阻害剤のin silico創薬研究2015
- Author(s)
  小澤新一郎, 合田浩明, 広野修一
- Organizer
  日本薬学会第135年会
- Place of Presentation
  神戸サンボーホール（兵庫県、神戸市）
- Year and Date
  2015-03-27
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 8-Hydroxy-2-imino-2H-chromene-3-carboxamide骨格を有するカルボニル還元酵素（CBR1）阻害剤の構造活性相関2014
- Author(s)
  宮城菜未希，胡大イ，遠藤智史，荒井裕貴，松永俊之，五十里彰，桑田一夫，原明，合田浩明，豊岡尚樹
- Organizer
  第42回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ（熊本県、熊本市）
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 新規糖尿病治療薬としてのSHIP2選択的阻害剤のin silico創薬研究2014
- Author(s)
  小澤新一郎, 合田浩明, 広野修一
- Organizer
  第42回構造活性相関シンポジウム
- Place of Presentation
  くまもと森都心プラザ（熊本県、熊本市）
- Year and Date
  2014-11-13
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 新規喘息治療薬開発に有用なin silico分子設計法の確立2012
- Author(s)
  若杉昌輝, 合田浩明, 廣瀬友靖, 菅原章公, 山本剛, 塩見和朗, 砂塚敏明, 大村智, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 抗MRSA活性物質Bottromycin類の固相合成研究2012
- Author(s)
  小林豊, 山田健, 井手口哲也, 千成恒, 廣瀬友靖, 小林義典, 合田浩明, 広野修一, 大村智, 砂塚敏明
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] PPARγLBDと三環系PPARγパーシャルアゴニストの相互作用解析2012
- Author(s)
  中込泉, 豊岡尚樹, 峰平大輔, 竹田大輔, 加藤敦, 足立伊左雄, 松谷裕二, 川田耕司, 佐藤謙一, 山乙教之, 合田浩明, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] イン・シリコ創薬技術に基づいたヒトセリンラセマーゼ阻害剤の創製研究2012
- Author(s)
  合田浩明, 和田亮吾, 李杰, 帯田孝之, 水口峰之, 森寿, 豊岡尚樹, 広野修一
- Organizer
  第40回構造活性相関シンポジウム
- Place of Presentation
  岡崎
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 新規喘息治療薬開発に有用なin silico分子設計法の確立2012
- Author(s)
  若杉昌輝, 合田浩明, 廣瀬友靖, 菅原章公, 山本剛, 塩見和朗, 砂塚敏明, 大村智, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 抗MRSAおよび抗VRE活性を有する天然化合物bottromycin A_2の溶液構造決定2012
- Author(s)
  合田浩明
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道大学(北海道)
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 新規セリンラセマーゼ阻害剤の合成研究2012
- Author(s)
  和田亮吾, 李杰, 合田浩明, 広野修一, 水口峰之, 森寿, 豊岡尚樹
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 抗MRSAおよび抗VRE活性を有する天然化合物bottromycin A_2の溶液構造決定2012
- Author(s)
  合田浩明, 小林豊, 山田健, 井手口哲也, 菅原章公, 廣瀬友靖, 大村智, 砂塚敏明, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 抗MRSAおよび抗VRE活性を有する天然化合物bottromycin A_2の溶液構造決定2012
- Author(s)
  合田浩明, 小林豊, 山田健, 井手口哲也, 菅原章公, 廣瀬友靖, 大村智, 砂塚敏明, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] PPARγLBDと三環系PPARγパーシャルアゴニストの相互作用解析2012
- Author(s)
  中込泉, 豊岡尚樹, 峰平大輔, 竹田大輔, 加藤敦, 足立伊左雄, 松谷裕二, 川田耕司, 佐藤謙一, 山乙教之, 合田浩明, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 新規セリンラセマーゼ阻害剤の合成研究2012
- Author(s)
  和田亮吾, 李杰, 合田浩明, 広野修一, 水口峰之, 森寿, 豊岡尚樹
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] ヒトCYP3A4阻害剤の3次元定量的構造活性相関-Structure-based CoMFA-2012
- Author(s)
  半田耕一, 中込泉, 山乙教之, 合田浩明, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 抗MRSA活性物質Bottromycin類の固相合成研究2012
- Author(s)
  小林豊, 山田健, 井手口哲也, 千成恒, 廣瀬友靖, 小林義典, 合田浩明, 広野修一, 大村智, 砂塚敏明
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 抗MRSAおよび抗VRE活性を有する天然化合物bottromycin A_2の溶液構造決定2012
- Author(s)
  合田浩明
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道大学(北海道)
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] ヒト酸性キチナーゼを標的とした新規喘息治療薬開発を目指したイン・シリコ創薬研究2012
- Author(s)
  若杉昌輝, 合田浩明, 廣瀬友靖, 菅原章公, 山本剛, 塩見和朗, 砂塚敏明, 大村智, 広野修一
- Organizer
  第40回構造活性相関シンポジウム
- Place of Presentation
  岡崎
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] ヒトCYP3A4阻害剤の3次元定量的構造活性相関-Structure-based CoMFA-2012
- Author(s)
  半田耕一, 中込泉, 山乙教之, 合田浩明, 広野修一
- Organizer
  日本薬学会第132年会
- Place of Presentation
  北海道
- Year and Date
  2012-03-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] マクロライド骨格をテンプレートとした新規キチナーゼ阻害剤のデザインと合成2011
- Author(s)
  木村紗穂莉, 斎藤佳史, 菅原章公, 廣瀬友靖, 合田浩明, 広野修一, 大村智, 砂塚敏明
- Organizer
  第55回日本薬学会関東支部大会
- Place of Presentation
  千葉
- Year and Date
  2011-10-08
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] アディポネクチン発現低下を抑制するプロポリス成分化合物とPPARγLBDの相互作用解析2011
- Author(s)
  中込泉, 山乙教之, 合田浩明, 広野修一, 津田孝範, 熊澤茂則
- Organizer
  日本薬学会第131年会
- Place of Presentation
  静岡
- Year and Date
  2011-03-29
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] タンパク質と相互作用する分子フラグメントを同定するプログラムの開発2011
- Author(s)
  山乙教之, 中込泉, 合田浩明, 広野修一
- Organizer
  日本コンピュータ化学会2011秋季年会
- Place of Presentation
  福井
- Year and Date
  2011-11-05
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] NMR測定とin silico創薬技術を組み合わせたキチナーゼ阻害剤の相互作用解析2011
- Author(s)
  合田浩明
- Organizer
  2010年度第2回CACフォーラムセミナー
- Place of Presentation
  東京
- Year and Date
  2011-03-04
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 相互作用に重要な水分子を取り込んだキチナーゼ阻害剤のin silico分子設計2011
- Author(s)
  合田浩明, 広野修一
- Organizer
  日本薬学会第131年会
- Place of Presentation
  静岡
- Year and Date
  2011-03-29
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] マクロライド骨格をテンプレートとした新規キチナーゼ阻害剤のデザインと合成2011
- Author(s)
  木村紗穂莉, 斎藤佳史, 菅原章公, 廣瀬友靖, 合田浩明, 広野修一, 大村智, 砂塚敏明
- Organizer
  第55回日本薬学会関東支部大会
- Place of Presentation
  千葉
- Year and Date
  2011-10-08
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] Rational drug design strategy for future development of asthma medication2011
- Author(s)
  Masaki Wakasugi, Hiroaki Gouda, Tomoyasu Hirose, Yoshihumi Saitoh, Tuyoshi Yamamoto, Kazuro Shiomi, Toshiaki Sunazuka, Satosi Omura, Shuichi Hirono
- Organizer
  The 8th AFMC International Medicinal Chemistry Symposium "Frontier of Medicinal Science"
- Place of Presentation
  東京
- Year and Date
  2011-11-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ンパク質と相互作用する分子フラグメントを同定するプログラムの開発2011
- Author(s)
  山乙教之, 中込泉, 合田浩明, 広野修一
- Organizer
  日本コンピュータ化学会2011秋季年会
- Place of Presentation
  福井
- Year and Date
  2011-11-05
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 相互作用に重要な水分子を取り込んだキチナーゼ阻害剤のin silico分子設計2011
- Author(s)
  合田浩明, 広野修一
- Organizer
  日本薬学会第131年会
- Place of Presentation
  静岡
- Year and Date
  2011-03-29
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] Rational drug design strategy for future development of asthma medication2011
- Author(s)
  Masaki Wakasugi, Hiroaki Gouda, Tomoyasu Hirose, Yoshihumi Saitoh, Tuyoshi Yamamoto, Kazuro Shiomi, Toshiaki Sunazuka, Satosi Omura, Shuichi Hirono
- Organizer
  The 8th AFMC International Medicinal Chemistry Symposium Frontier of Medicinal Science
- Place of Presentation
  東京
- Year and Date
  2011-11-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 津田孝範,熊澤茂則アディポネクチン発現低下を抑制するプロポリス成分化合物とPPARγLBDの相互作用解析2011
- Author(s)
  中込泉, 山乙教之, 合田浩明, 広野修一
- Organizer
  日本薬学会第131年会
- Place of Presentation
  静岡
- Year and Date
  2011-03-29
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ヒト酸性キチナーゼを標的にしたキチナーゼ阻害剤Argifinの理論的分子構造最適化2010
- Author(s)
  合田浩明, 寺嶋真一, 広野修一
- Organizer
  日本薬学会第130年会
- Place of Presentation
  岡山
- Year and Date
  2010-03-29
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] TRNOE測定、コンピュータリガンドドッキングおよび結合自由エネルギー計算を組み合わせたキチナーゼBとArgifin由来ジペプチド阻害剤の相互作用解析2010
- Author(s)
  合田浩明, 砂塚敏明, 廣瀬友靖, 井口加奈美, 菅原章公, 野口吉彦, 斉藤佳史, 山本剛, 塩見和朗, 大村智, 広野修一
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島
- Year and Date
  2010-10-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] In silico創薬技術に基づくD-aspartate oxidase-thiolactomycin複合体の構造解析2010
- Author(s)
  中込泉, 山乙教之, 合田浩明, 片根真澄, 本間浩, 広野修一
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島
- Year and Date
  2010-10-30
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 分子重ね合わせ法を用いたLigand-Based Drug Design手法によるcongenericな化合物群の3D-QSARモデルの構築及びその検証2010
- Author(s)
  土井一生, 山乙教之, 合田浩明, 広野修一
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島
- Year and Date
  2010-10-31
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 天然物に基づいた新規キチナーゼ阻害剤のin silico分子設計近畿大学薬学総合研究所・大学院薬学研究科ハイテク・リサーチ・センター整備事業2010
- Author(s)
  合田浩明
- Organizer
  近畿大学薬学総合研究所・大学院薬学研究科ハイテク・リサーチ・センター整備事業第8回シンポジウム
- Place of Presentation
  大阪
- Year and Date
  2010-07-10
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] TRNOE測定、コンピュータリガンドドッキングおよび結合自由エネルギー計算を組み合わせたキチナーゼBとArgifin由来ジペプチド阻害剤の相互作用解析2010
- Author(s)
  合田浩明, 砂塚敏明, 廣瀬友靖, 井口加奈美, 菅原章公, 野口吉彦, 斉藤佳史, 山本剛, 塩見和朗, 大村智, 広野修一
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島
- Year and Date
  2010-10-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 分子重ね合わせ法を用いたLigand-Based Drug Design手法によるcongenericな化合物群の3D-QSARモデルの構築及びその検証2010
- Author(s)
  土井一生, 山乙教之, 合田浩明, 広野修一
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島
- Year and Date
  2010-10-31
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] TRNOE測定、コンピュータリガンドドッキングおよび結合自由エネルギー計算を組み合わせたキチナーゼBとArgifin由来ジペプチド阻害剤の相互作用解析2010
- Author(s)
  合田浩明
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島大学(徳島県)
- Year and Date
  2010-10-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ヒト酸性キチナーゼを標的にしたキチナーゼ阻害剤Argifinの理論的分子構造最適化2010
- Author(s)
  合田浩明, 寺嶋真一, 広野修一
- Organizer
  日本薬学会第130年会
- Place of Presentation
  岡山
- Year and Date
  2010-03-29
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] 天然物に基づいた新規キチナーゼ阻害剤のin silico分子設計2010
- Author(s)
  合田浩明
- Organizer
  近畿大学薬学総合研究所・大学院薬学研究科ハイテク・リサーチ・センタ-整備事業第8回シンポジウム-
- Place of Presentation
  近畿大学(大阪府)
- Year and Date
  2010-07-10
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] In silico創薬技術に基づくD-aspartate oxidase-thiolactomycin複合体の構造解析2010
- Author(s)
  中込泉, 山乙教之, 合田浩明, 片根真澄, 本間浩, 広野修一
- Organizer
  第38回構造活性相関シンポジウム
- Place of Presentation
  徳島
- Year and Date
  2010-10-30
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ヒト酸性キチナーゼに対して特異性を有するArgifin誘導体の論理的分子設計2009
- Author(s)
  合田浩明, 寺嶋真一, 広野修一
- Organizer
  第37回構造活性相関シンポジウム
- Place of Presentation
  東京
- Year and Date
  2009-11-12
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] ヒト酸性キチナーゼに対して特異性を有するArgifin誘導体阻害剤のin silico分子設計2009
- Author(s)
  合田浩明
- Organizer
  SCHRODINGERユーザーフォーラム2009
- Place of Presentation
  東京
- Year and Date
  2009-10-21
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ヒト酸性キチナーゼを標的にしたin silico創薬研究2009
- Author(s)
  合田浩明
- Organizer
  構造活性フォーラム2009化合物と標的・非標的タンパク質との相互作用.創薬標的の同定と分子設計
- Place of Presentation
  東京
- Year and Date
  2009-06-19
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ヒト酸性キチナーゼに対して特異性を有するArgifin誘導体の論理的分子設計2009
- Author(s)
  合田浩明
- Organizer
  第37回構造活性相関シンポジウム
- Place of Presentation
  北里大学
- Year and Date
  2009-11-12
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] ヒト酸性キチナーゼを標的にしたin-silico創薬研究2009
- Author(s)
  合田浩明
- Organizer
  構造活性フォーラム2009
- Place of Presentation
  北里大学
- Year and Date
  2009-06-19
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] NMR 測定と高温分子動力学計算を組み合わせた抗生物質Bottromycin A2 の絶対構造決定2009
- Author(s)
  合田浩明, 島村寛章, 長井賢一郎, 廣瀬友靖, 小林豊, 砂塚敏明, 大村智, 広野修一
- Organizer
  日本薬学会第129 年会
- Place of Presentation
  京都
- Year and Date
  2009-03-27
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] ヒト酸性キチナーゼに対して特異性を有するArgifin誘導体の論理的分子設計2009
- Author(s)
  合田浩明, 寺嶋真一, 広野修一
- Organizer
  第37回構造活性相関シンポジウム
- Place of Presentation
  東京
- Year and Date
  2009-11-12
- Data Source
  KAKENHI-PROJECT-21590046
[Presentation] 3D-QSAR MODELS FOR THE PPARS AGONISTS WITH DUE REGARD TO MEMBRANE TRANSPORT2009
- Author(s)
  S.Hirono, I.Nakagome, N.Yamaotsu, H.Gouda
- Organizer
  Frontiers in Medicinal Chemistry
- Place of Presentation
  Barcelona, Spain
- Year and Date
  2009-10-05
- Data Source
  KAKENHI-PROJECT-21590122
[Presentation] NMR測定と分子動力学計算を組み合わせた抗生物質Bottromycin A_2の絶対構造決定2009
- Author(s)
  合田浩明
- Organizer
  日本薬学会第129年会
- Place of Presentation
  国立京都国際会館
- Year and Date
  2009-03-27
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] In silico 創薬技術を用いたキチナーゼ阻害剤Argifinの分子構造最適化2008
- Author(s)
  合田浩明, 広野修一
- Organizer
  日本薬学会第128年会
- Place of Presentation
  横浜
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] In silico創薬技術を用いたキチナーゼ阻害剤Argifinの分子構造最適化2008
- Author(s)
  合田浩明
- Organizer
  日本薬学会第128年会
- Place of Presentation
  パシフィコ横浜
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] NMRおよび計算化学手法を用いたキチナーゼBとArgifin由来ジペプチド阻害剤の相互作用解析2008
- Author(s)
  合田浩明
- Organizer
  第27回メディシナルケミストリーシンポジウム
- Place of Presentation
  メルパルク大阪
- Year and Date
  2008-11-26
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] ヒト酸性キチナーゼを標的としたキチナーゼ阻害剤Argifinの理論的分子構造最適化2008
- Author(s)
  寺嶋真一, 合田浩明, 広野修一
- Organizer
  第27回メディシナルケミストリーシンポジウム
- Place of Presentation
  大阪
- Year and Date
  2008-11-26
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] In silico創薬技術を用いた新規キチナーゼ阻害剤の論理的分子設計2008
- Author(s)
  合田浩明, 広野修一
- Organizer
  北里大学薬学部公開シンポジウム(ハイテクリサーチ・シンポジウム)創薬シーズ-発見から応用へ-
- Place of Presentation
  東京
- Year and Date
  2008-02-22
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] NMRおよび計算化学手法を用いたキチナーゼB とArgifin 由来ジペプチド阻害剤の相互作用解析2008
- Author(s)
  合田浩明, 井口加奈美, 菅原章公, 山本剛, 廣瀬友靖, 塩見和朗, 砂塚敏明, 大村智, 広野修一
- Organizer
  第27回メディシナルケミストリーシンポジウム
- Place of Presentation
  大阪
- Year and Date
  2008-11-26
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] In silico創薬技術を用いた新規キチナーゼ阻害剤の論理的分子設計2008
- Author(s)
  合田浩明
- Organizer
  北里大学薬学部公開シンポジウム(ハイテクリサーチ・シンポジウム)
- Place of Presentation
  北里大学
- Year and Date
  2008-02-22
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] In silico analysis of interaction between PI3K and its potent inhibitor ZSTK4742007
- Author(s)
  Satoh H, Koshimizu I, Yoshimi H, Watanabe T, Yaguchi S, Matsuno T, Gouda H, Yamori T, Hirono S
- Organizer
  6th AFMC International Medicinal Chemistry Sympojium
- Place of Presentation
  Istanbul, Turkey
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] キチナーゼBに対するペプチド性阻害剤Argifin の相互作用解析とその誘導体の論理的分子設計2007
- Author(s)
  合田浩明, 広野修一
- Organizer
  第35回構造活性相関シンポジウム
- Place of Presentation
  京都
- Year and Date
  2007-11-16
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] キチナーゼBに対するペプチド性阻害剤Argifin の相互作用解析とその誘導体の論理的分子設計2007
- Author(s)
  合田浩明
- Organizer
  第35回構造活性相関シンポジウム
- Place of Presentation
  京都大学
- Year and Date
  2007-11-16
- Data Source
  KAKENHI-PROJECT-19590043
[Presentation] イン･シリコ創薬技術に基づいたStructure Based Drug Designの実際～新規キチナーゼ阻害剤開発に有用なイン･シリコ分子設計法の確立～
- Author(s)
  合田浩明
- Organizer
  日本薬学会関東支部第37回学術講演会
- Place of Presentation
  渋谷
- Invited
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 新規インスリン抵抗性改善に基づく２型糖尿病治療薬の創製
- Author(s)
  高原理行，市原克則，和田努，恒枝宏史，笹岡利安，広野修一，梅田知伸，田中信忠，合田浩明，豊岡尚樹
- Organizer
  日本薬学会第134年会
- Place of Presentation
  熊本
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] 新規糖尿病治療薬としてのSHIP2阻害剤のin silico創薬研究
- Author(s)
  小澤新一郎、中作菜穂、合田浩明、広野修一
- Organizer
  日本薬学会第134年会
- Place of Presentation
  熊本
- Data Source
  KAKENHI-PROJECT-24590058
[Presentation] ジアシルグリセロールアシル基転移酵素-1阻害剤のLigand-Based Drug Design
- Author(s)
  若杉昌輝，合田浩明，平野遼太郎, 小林健一, 古源寛，広野修一
- Organizer
  第41回構造活性相関シンポジウム
- Place of Presentation
  西宮
- Data Source
  KAKENHI-PROJECT-24590058

1. HIRONO Shuichi (30146328)

# of Collaborated Projects: 10 results

# of Collaborated Products: 76 results
2. YAMAOTSU Noriyuki (60230322)

# of Collaborated Projects: 9 results

# of Collaborated Products: 17 results
3. NAKAGOME Izumi (30237242)

# of Collaborated Projects: 8 results

# of Collaborated Products: 11 results
4. MATSUSHITA Yasuo (40050653)

# of Collaborated Projects: 5 results

# of Collaborated Products: 0 results
5. Toyooka Naoki (10217565)

# of Collaborated Projects: 3 results

# of Collaborated Products: 3 results
6. TANAKA Nobutada (00286866)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
7. SASAOKA Toshiyasu (00272906)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
8. TAKASAKI ICHIRO (00397176)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. KURIHARA TAKASHI (60282745)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
10. Endo Satoshi (60433207)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
11. KUWATA Kazuo (00170142)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. UMEDA Tomonobu

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. KOIZUMI Yukio

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. NAGASE Hiroshi

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
15. FUJII Hideaki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
16. HIRAYAMA Shigeto

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 砂塚敏明

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
18. 真板宣夫

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
19. 谷口寿章

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
20. 恒枝宏史

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
21. 和田努

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Gouda Hiroaki 合田 浩明

GOUDA Hiroaki 合田 浩明

Research Projects

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量子化学計算に基づいたリガンド結合部位の分子相互作用場算出法の開発Principal Investigator

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Development of knowledge-based method for prediction of antigenic peptide binding to HLAPrincipal Investigator

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Discovery of SHIP2 inhibitors for novel drugs against type 2 diabetes accompanying dementia of Alzheimer's typePrincipal Investigator

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In silico drug design of SHIP2 inhibitor as a novel therapeutic agent for diabetes.Principal Investigator

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Optimization of chitinase inhibitor with macrolide scaffold based on in silico drug discovery techniquesPrincipal Investigator

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Computer-aided rational molecular design of novel chitinase inhibitorPrincipal Investigator

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Gouda Hiroaki 合田浩明

GOUDA Hiroaki 合田浩明