Papers - KAWAI Kentaro
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Synthesis of Small Fluorescent Molecules and Evaluation of Photophysical Properties.
Futa Ogawa, Yukiko Karuo, Ryuji Yamazawa, Kanae Miyanaga, Kazushige Hori, Keita Tani, Kengo Yamada, Yuki Saito, Kazumasa Funabiki, Atsushi Tarui, Kazuyuki Sato, Kiyoshi Ito, Kentaro Kawai, Masaaki Omote
J. Org. Chem82 1253 - 1258 2020
Joint Work
Research paper (scientific journal)
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Effect of structural descriptors on the design of cyclin dependent kinase inhibitors using similarity-based molecular evolution
Kentaro Kawai, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Masaaki Omote
Mol. Inf.39 1900126 2020
Joint Work
Research paper (scientific journal)
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Stereoselective synthesis of multisubstituted α-fluoro-β-lactams
Atsushi Tarui, Yukiko Karuo, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Curr. Org. Chem. 2020
Joint Work
Research paper (scientific journal)
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Copper-catalyzed Oxidative Trifluoromethylation of Terminal Alkenes Using AgCF3
Yukiko Karuo, Tatsuto Hayashi, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
J. Org. Chem.85 5104 - 5108 2020
Joint Work
Research paper (scientific journal)
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Structural modification of indomethacin toward selective inhibition of COX-2 with a significant increase in van der Waals contributions
Ikeda A., Funakoshi E., Araki M., Ma B., Karuo Y., Tarui A., Sato K., Okuno Y., Kawai K., Omote M
Bioorganic & Medicinal Chemistry27 1789 - 1794 2019.03
Joint Work
Research paper (scientific journal)
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Construction of quaternanry carbon center by the reaction of aza-o-quinone methide mediated carbocation intermediate
Yukiko Karuo, Shintaro Dousei, Minori Sakamoto, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Heterocycles101 363 - 372 2019
Joint Work
Research paper (scientific journal)
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Proposal of potent inhibitors for vitamin-D receptor based on ab initio fragment molecular orbital calculations
Ryosuke Takeda, Ittetsu Kobayashi, Rie Suzuki, Kentaro Kawai, Atsushi Kittaka, Midori Takimoto-Kamimura, Noriyuki Kurita
J. Mol. Graph. Model.80 320 - 326 2018.03
Joint Work
Research paper (scientific journal)
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Specific interactions between vitamin D receptor and ligand depending on its chirality: ab initio fragment molecular orbital calculations
Ryosuke Takeda, Rie Suzuki, Ittetsu Kobayashi, Kentaro Kawai, Atsushi Kittaka, Midori Takimoto-Kamimura, Noriyuki Kurita
Chem-Bio Informatics Journal18 32 - 43 2018
Joint Work
Research paper (scientific journal)
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Specific interactions between androgen receptor and its ligand: ab initio molecular orbital calculations in water
Ittetsu Kobayashi, Ryosuke Takeda, Rie Suzuki, Kanako Shimamura, Hiromi Ishimura, Ryushi Kadoya, Kentaro Kawai, Midori Takimoto-Kamimura, Noriyuki Kurita
J. Mol. Graph. Model.75 383 - 389 2017.06
Joint Work
Research paper (scientific journal)
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Specific interactions between vitamin-D receptor and its ligands: Ab initio molecular orbital calculations in wate
Ryosuke Takeda, Ittetsu Kobayashi, Kanako Shimamura, Hiromi Ishimura, Ryushi Kadoya, Kentaro Kawai, Atsushi Kittaka, Midori Takimoto-Kamimura, Noriyuki Kurita
J. Steroid Biochem. Mol. Biol.171 75 - 79 2017.02
Joint Work
Research paper (scientific journal)
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Molecular dynamics and ab initio FMO calculations on the effect of water molecules on the interactions between androgen receptor and its ligand and cofactor
Kanako Shimamura, Hiromi Ishimura, Ittetsu Kobayashi, Ryushi Kadoya, Noriyuki Kurita, Kentaro Kawai, Midori Takimoto-Kamimura
International Conference On Advanced Informatics: Concepts, Theory And Application 7803088-1 - 7803088-6 2016.08
Joint Work
Research paper (international conference proceedings)
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Effect of cofactor-binding on the specific interactions between androgen receptor and its ligand: Ab initio molecular simulations
Ittetsu Kobayashi, Kanako Shimamura, Hiromi Ishimura, Ryushi Kadoya, Noriyuki Kurita, Kentaro Kawai, Midori Takimoto-Kamimura
International Conference On Advanced Informatics: Concepts, Theory And Application 7803095-1 - 7803095-6 2016.08
Joint Work
Research paper (international conference proceedings)
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進化的アルゴリズムと化合物情報を活用したインシリコ薬物設計
河合健太郎、高橋由雅
Yakugaku Zasshi136 ( 1 ) 107 - 112 2016.01
Joint Work
Research paper (scientific journal)
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A mini-review on chemoinformatics approaches for drug discovery
Kawashita Norihito, Yamasaki Hiroyuki, Miyao Tomoyuki, Kawai Kentaro, Sakae Yoshitake, Ishikawa Takeshi, Mori Kenichi, Nakamura Shinya, Kaneko Hiromasa
J. Comput. Aided Chem.16 25 - 29 2015.10
Joint Work
Research paper (scientific journal)
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2-(Isopropylamino) thieno[3,2-d] pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy
Yusuke Endo, Kentaro Kawai, Takeshi Asano, Seiji Amano, Yoshihito Asanuma, Keisuke Sawada, Yuuta Onodera, Noriko Ueo, Nobuaki Takahashi, Yo Sonoda, Noriyuki Kamei, Tetsumi Irie
Bioorg. Med. Chem. Lett.25 ( 9 ) 1910 - 1914 2015.05
Joint Work
Research paper (scientific journal)
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Discovery and SAR study of 2-(4-pyridylamino) thieno [3,2-d] pyrimidin-4(3H)-ones as soluble and highly potent PDE7 inhibitors
Yusuke Endo, Kentaro Kawai, Takeshi Asano, Seiji Amano, Yoshihito Asanuma, Keisuke Sawada, Keiji Ogura, Naoya Nagata, Noriko Ueo, Nobuaki Takahashi, Yo Sonoda, Noriyuki Kamei
Bioorg. Med. Chem. Lett.25 ( 3 ) 649 - 653 2015.02
Joint Work
Research paper (scientific journal)
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Discovery of 2-(cyclopentylamino) thieno[3,2-d]pyrimidin -4(3H)-one derivatives as a new series of potent phosphodiesterase 7 inhibitors
Kentaro Kawai, Yusuke Endo, Takeshi Asano, Seiji Amano, Keisuke Sawada, Noriko Ueo, Nobuaki Takahashi, Yo Sonoda, Mika Nagai, Noriyuki Kamei, Naoya Nagata
J. Med. Chem.57 ( 23 ) 9844 - 9854 2014.11
Joint Work
Research paper (scientific journal)
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De novo design of drug-like molecules by a fragment-based molecular evolutionary approach
Kentaro Kawai, Naoya Nagata, Yoshimasa Takahashi
J. Chem. Inf. Model.54 ( 1 ) 49 - 56 2014.01
Joint Work
Research paper (scientific journal)
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Lead evaluation of tetrahydroquinolines as nonsteroidal selective androgen receptor modulators for the treatment of osteoporosis
Naoya Nagata, Kazuyuki Furuya, Nao Oguro, Daisuke Nishiyama, Kentaro Kawai, Noriko Yamamoto, Yuki Ohyabu, Masahiro Satsukawa, Motonori Miyakawa
ChemMedChem9 ( 1 ) 197 - 206 2014.01
Joint Work
Research paper (scientific journal)
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Subtle Structural Changes in Tetrahydroquinolines, A New Class of Nonsteroidal Selective Androgen Receptor Modulators, Induce Different Functions
Naoya Nagata, Kentaro Kawai, Isao Nakanishi
J. Chem. Inf. Model.52 ( 8 ) 2257 - 2264 2012.08
Joint Work
Research paper (scientific journal)