In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery
Yamaotsu, Noriyuki, Hirono, Shuichi
Published in Journal of computer-aided molecular design (01.11.2018)
Published in Journal of computer-aided molecular design (01.11.2018)
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Design of a New α-1- C -Alkyl-DAB Derivative Acting as a Pharmacological Chaperone for β-Glucocerebrosidase Using Ligand Docking and Molecular Dynamics Simulation
Nakagome, Izumi, Kato, Atsushi, Yamaotsu, Noriyuki, Yoshida, Tomoki, Ozawa, Shin-Ichiro, Adachi, Isao, Hirono, Shuichi
Published in Molecules (Basel, Switzerland) (18.10.2018)
Published in Molecules (Basel, Switzerland) (18.10.2018)
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Gibbs Free Energy of Hydrolytic Water Molecule in Acyl-Enzyme Intermediates of a Serine Protease: A Potential Application for Computer-Aided Discovery of Mechanism-Based Reversible Covalent Inhibitors
Masuda, Yosuke, Yamaotsu, Noriyuki, Hirono, Shuichi
Published in Chemical & pharmaceutical bulletin (2017)
Published in Chemical & pharmaceutical bulletin (2017)
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Linear Discriminant Analysis for the in Silico Discovery of Mechanism-Based Reversible Covalent Inhibitors of a Serine Protease: Application of Hydration Thermodynamics Analysis and Semi-empirical Molecular Orbital Calculation
Masuda, Yosuke, Yoshida, Tomoki, Yamaotsu, Noriyuki, Hirono, Shuichi
Published in Chemical & pharmaceutical bulletin (2018)
Published in Chemical & pharmaceutical bulletin (2018)
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Journal Article
Antitumor Activity of ZSTK474, a New Phosphatidylinositol 3-Kinase Inhibitor
Yaguchi, Shin-ichi, Fukui, Yasuhisa, Koshimizu, Ichiro, Yoshimi, Hisashi, Matsuno, Toshiyuki, Gouda, Hiroaki, Hirono, Shuichi, Yamazaki, Kanami, Yamori, Takao
Published in JNCI : Journal of the National Cancer Institute (19.04.2006)
Published in JNCI : Journal of the National Cancer Institute (19.04.2006)
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Long chain fatty acids alter the interactive binding of ligands to the two principal drug binding sites of human serum albumin
Yamasaki, Keishi, Hyodo, Saya, Taguchi, Kazuaki, Nishi, Koji, Yamaotsu, Noriyuki, Hirono, Shuichi, Chuang, Victor Tuan Giam, Seo, Hakaru, Maruyama, Toru, Otagiri, Masaki
Published in PloS one (29.06.2017)
Published in PloS one (29.06.2017)
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Synthesis and Evaluation of a Novel Series of 2,7-Substituted-6-tetrazolyl-1,2,3,4-tetrahydroisoquinoline Derivatives as Selective Peroxisome Proliferator-Activated Receptor γ Partial Agonists
Morishita, Ko, Ito, Yuma, Otake, Kazuya, Takahashi, Kenji, Yamamoto, Megumi, Kitao, Tatsuya, Ozawa, Shin-ichiro, Hirono, Shuichi, Shirahase, Hiroaki
Published in Chemical & pharmaceutical bulletin (01.04.2021)
Published in Chemical & pharmaceutical bulletin (01.04.2021)
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Journal Article
The Stat3 inhibitor F0648-0027 is a potential therapeutic against rheumatoid arthritis
Kaneko, Yosuke, Ozawa, Shin-ichiro, Sato, Yuiko, Kobayashi, Tami, Matsumoto, Tatsuaki, Miyamoto, Kana, Kobayashi, Shu, Harato, Kengo, Hirono, Shuichi, Matsumoto, Morio, Nakamura, Masaya, Niki, Yasuo, Miyamoto, Takeshi
Published in Biochemical and biophysical research communications (25.12.2022)
Published in Biochemical and biophysical research communications (25.12.2022)
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Molecular Dynamics Simulations to Investigate the Influences of Amino Acid Mutations on Protein Three-Dimensional Structures of Cytochrome P450 2D6.1, 2, 10, 14A, 51, and 62
Fukuyoshi, Shuichi, Kometani, Masaharu, Watanabe, Yurie, Hiratsuka, Masahiro, Yamaotsu, Noriyuki, Hirono, Shuichi, Manabe, Noriyoshi, Takahashi, Ohgi, Oda, Akifumi
Published in PloS one (05.04.2016)
Published in PloS one (05.04.2016)
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(S)-1,2,3,4-Tetrahydroisoquinoline Derivatives Substituted with an Acidic Group at the 6-Position as a Selective Peroxisome Proliferator-Activated Receptor γ Partial Agonist
Morishita, Ko, Miike, Tomohiro, Takeda, Shigemitsu, Fukui, Masaki, Ito, Yuma, Kitao, Tatsuya, Ozawa, Shin-ichiro, Hirono, Shuichi, Shirahase, Hiroaki
Published in Chemical & pharmaceutical bulletin (01.11.2019)
Published in Chemical & pharmaceutical bulletin (01.11.2019)
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Journal Article
Strategy for Designing Selective Lysosomal Acid α-Glucosidase Inhibitors: Binding Orientation and Influence on Selectivity
Kato, Atsushi, Nakagome, Izumi, Hata, Mizuki, Nash, Robert J, Fleet, George W J, Natori, Yoshihiro, Yoshimura, Yuichi, Adachi, Isao, Hirono, Shuichi
Published in Molecules (Basel, Switzerland) (19.06.2020)
Published in Molecules (Basel, Switzerland) (19.06.2020)
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Evaluation of influence of single nucleotide polymorphisms in cytochrome P450 2B6 on substrate recognition using computational docking and molecular dynamics simulation
Kobayashi, Kana, Takahashi, Ohgi, Hiratsuka, Masahiro, Yamaotsu, Noriyuki, Hirono, Shuichi, Watanabe, Yurie, Oda, Akifumi
Published in PloS one (05.05.2014)
Published in PloS one (05.05.2014)
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Docking study and biological evaluation of pyrrolidine-based iminosugars as pharmacological chaperones for Gaucher disease
Kato, Atsushi, Nakagome, Izumi, Sato, Kasumi, Yamamoto, Arisa, Adachi, Isao, Nash, Robert J., Fleet, George W. J., Natori, Yoshihiro, Watanabe, Yasuka, Imahori, Tatsushi, Yoshimura, Yuichi, Takahata, Hiroki, Hirono, Shuichi
Published in Organic & biomolecular chemistry (01.01.2016)
Published in Organic & biomolecular chemistry (01.01.2016)
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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
Handa, Koichi, Nakagome, Izumi, Yamaotsu, Noriyuki, Gouda, Hiroaki, Hirono, Shuichi
Published in Journal of pharmaceutical sciences (01.01.2015)
Published in Journal of pharmaceutical sciences (01.01.2015)
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Precise prediction of activators for the human constitutive androstane receptor using structure-based three-dimensional quantitative structure–activity relationship methods
Kato, Harutoshi, Yamaotsu, Noriyuki, Iwazaki, Norihiko, Okamura, Shigeaki, Kume, Toshiyuki, Hirono, Shuichi
Published in Drug metabolism and pharmacokinetics (01.06.2017)
Published in Drug metabolism and pharmacokinetics (01.06.2017)
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