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研究業績(論文発表)

2024

In vitro demonstration of antedrug mechanism of a pharmacokinetic booster to improve CYP3A4 substrates by CYP3A4-mediated metabolism inhibition 
Makoto Kataoka, Sae Takenaka, Shota Fujii, Takato Masada, Keiko Minami, Toshihide Takagi, Masaaki Omote, Kentaro Kawai, Shinji Yamashita
Drug Metabolism and Pharmacokinetics, 2024, 101105.


Pentafluorosulfanyl-substituted biaryl derivatives as MATE-type transporter inhibitors targeting drug-resistant bacteria
Susumu Shinya, Kentaro Kawai, Naoki Kobayashi, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Masato Otsuka, Masaaki Omote
Bioorg. Med. Chem., 2024, 99, 117606.

Development of drug discovery platforms using artificial intelligence and cheminformatics 
Kentaro Kawai, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Makoto Kataoka, Masaaki Omote
Chem. Pharm. Bull., accepted.


2023

Metal-Free Arylation of Pyridine/Quinoline N-Oxides with Indoles
Ryo Tsunokawa, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Takaaki Hosoya, Tomohiro Agou, Kentaro Kawai, Masaaki Omote
Eur. J. Org. Chem., 2023, 26, e202300885.

Reactions using freons and halothane as halofluoroalkyl/halofluoroalkenyl building blocks
Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
The Chemical Record, 2023, 23, e202300029.


2022

Rhodium-catalyzed intramolecular reductive aldol-type cyclization: Application for the synthesis of a chiral necic acid lactone
Motoyuki Isoda, Kazuyuki Sato, Kenta Kameda, Kana Wakabayashi, Ryota Sato, Hideki Minami, Yukiko Karuo, Atsushi Tarui, Kentaro Kawai, Masaaki Omote
Beilstein J. Org. Chem., 2022, 18, 1642–1648.

Simple synthesis of multi-halogenated alkenes from 2-bromo-2-chloro-1,1,1-trifluoroethanehalothane (halothane)

Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Beilstein J. Org. Chem., 2022, 18, 1567–1574.

Fluorophenylalkyl-Substituted Cyanoguanidine Derivatives as Bacteria-Selective MATE Transporter Inhibitors for the Treatment of Antibiotic-Resistant Infections
Susumu Shinya, Kentaro Kawai, Naoki Kobayashi, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Masato Otsuka, Masaaki Omote
Bioorg. Med. Chem., 2022, 74, 117042.

Discovery of benzyloxyphenyl- and phenethylphenyl-imidazole derivatives as a new class of ante–drug type boosters
Kentaro Kawai, Jun Okada, Mizuki Nakae, Toshiki Tsujimura, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Shinji Yamashita, Makoto Kataoka, Masaaki Omote
Bioorg. Med. Chem. Lett., 2022, 72, 128868.

Synthesis of 2,2-difluoro-2-arylethylamines as fluorinated analogues of octopamine and noradrenaline
Atsushi Tarui, Erika Kamata, Koji Ebisu, Yui Kawai, Ryota Araki, Takeshi Yabe, Yukiko Karuo, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Heterocyclic Communications, 2022, 28, 26-34.

LCP: Simple Representation of Docking Poses for Machine Learning: A Case Study on Xanthine Oxidase Inhibitors
Kentaro Kawai, Yoshitaka Asanuma, Toshiki Kato, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Masaaki Omote
Molecular Informatics, 2022, 41, 2100245. [full-text]


2021

Importance of the azole moiety of cimetidine derivatives for the inhibition of human multidrug and toxin extrusion transporter 1 (hMATE1)
Susumu Shinya, Kentaro Kawai, Atsushi Tarui, Yukiko Karuo, Kazuyuki Sato, Masaya Matsuda, Kazuyuki Kitatani, Naoki Kobayashi, Takeshi Nabe, Masato Otsuka, Masaaki Omote
Chem. Pharm. Bull., 2021, 69, 905-912.

Identification and Synthesis of DDI-6, a Quinolinol Analog Capable of Activating Both Caenorhabditis elegans and Mouse Spermatozoa
Yukiko Karuo, Riona Shiraki, Ayaka Yoshida, Ryo Tsunokawa, Mayuko Nakahara-Yamada, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote, Hitoshi Nishimura
Chem. Pharm. Bull., 2021, 69, 557-563.

N-Acyltriazinedione; a Novel Acylating Reagent Synthesized from a Triazinone-Type Condensing Reagent
Kohei Yamada, Jeongsu Lee, Mika Kota, Yukiko Karuo, Masanori Kitamura, Munetaka Kunishima
Chem. Pharm. Bull., 2021, 69, 498-502.

Ferulic acid alleviates abnormal behaviors in isolation-reared mice via 5-HT1A receptor partial agonist activity
Ryota Araki, Akira Yasubuchi, Marina Ikegaya, Chihiro Hojo, Hayato Tachioka, Kentaro Kawai, Masaaki Omote, Ayami Kita, Takeshi Yabe
Psychopharmacology, 2021, 238, 2147-2154.

Proposal of novel potent inhibitors against androgen receptor based on ab initio molecular orbital calculations
Shunya Nakamura, Ryosuke Saito, Shohei Yamamoto, Ittetsu Kobayashi, Ryosuke Takeda, Rie Suzuki, Kentaro Kawai, Midori Takimoto-Kamimura, Noriyuki Kurita
J. Mol. Graph. Model., 2021, 107873.

Effect of learning dataset for identification of active molecules: a case study of integrin αIIbβ3 inhibitors

Kentaro Kawai, Mami Tomonou, Yume Machida, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Yoshiki Ikeda, Tatsuo Kinashi, Masaaki Omote
Molecular Informatics, 2021, 40, 2060040. [full-text]

Synthesis of aryl 2-bromo-2-chloro-1,1-difluoroethyl ethers through the base-mediated reaction between phenols and halothane
Yukiko Karuo, Ayaka Kametani, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Beilstein J. Org. Chem., 2021, 17, 8996.

2020

Reductive carbon−carbon bond forming reactions with carbonyls mediated by Rh−H complex
Kazuyuki Sato, Motoyuki Isoda, Atsushi Tarui, Masaaki Omote
Eur. J. Org. Chem., 2020, 42, 65036511.
Featured in front cover!

One-Pot Ring-Opening Peptide Synthesis Using α,α-Difluoro-β-Lactams

Atsushi Tarui, Masakazu Ueo, Marino Morikawa, Masahiko Tsuta, Sumika Iwasaki, Noriko Morishita, Yukiko Karuo, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Synthesis, 202052, 3657–3666.
Featured in Thieme Chemistry News!

Structural change of retinoic-acid receptor-related orphan receptor induced by binding of inverse-agonist: molecular dynamics and ab initio molecular orbital simulations
Shusuke Suzuki, Toshiya Nakamura, Ryosuke Saito, Yuta Terauchi, Kentaro Kawai, Midori Takimoto-Kamimura, Noriyuki Kurita
Comput. Struct. Biotechnol. J., 2020, 18, 1676–1685.

Synthesis of new fluorescent molecules having an aggregation-induced emission property derived from 4-fluoroisoxazoles
Kazuyuki Sato,  Akira Kawasaki,  Yukiko Karuo,  Atsushi Tarui,  Kentaro Kawai,  Masaaki Omote
Beilstein J. Org. Chem., 202016, 1411–1417.


Copper-catalyzed Oxidative Trifluoromethylation of Terminal Alkenes Using AgCF3
Yukiko Karuo, Tatsuto Hayashi, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
J. Org. Chem., 2020, 85, 5104-5108.

Stereoselective synthesis of multisubstituted α-fluoro-β-lactams

Atsushi Tarui, Yukiko Karuo, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote 
Curr. Org. Chem., 2020, 24, 2169-2180.

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
Molecular Informatics, 2020, 39, 1900126. [full-text]

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. Chem., 2020, 85, 1253-1258.

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
Heterocycles, 2020, 101, 363-372.


2019

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.
Bioorg. Med. Chem., 2019, 27, 1789–1794.

Lewis acid promoted fluorine-alkoxy group exchange reactions for the synthesis of 5-alkoxy-4,4-difluoroisoxazoline systems
Sato K., Sandford G., Konishi Y., Yanada N., Toda C., Tarui A., Omote M.
Org. Biomol. Chem., 2019, 17, 2818-2823.

Proteinase K is an activator for the male‐dependent spermiogenesis pathway in Caenorhabditis elegans: Its application to pharmacological dissection of spermiogenesis
Tatsuya Tajima, Futa Ogawa, Shogo Nakamura, Masaharu Hashimoto, Masaaki Omote, Hitoshi Nishimura
Genes to Cells, 2019, 24, 244-258.


2018

Decarboxylative aldol reaction of α,α-difluoro-β-ketocarboxylate salt: a facile method for generation of difluoroenolate
Tarui A., Oduti M., Shinya S., Sato K., Omote M.
RSC Adv., 2018, 8, 20568-20575.

Crystal Structure of (E)-2-(3,3,3-trifluoroprop-1-en-1-yl)aniline
Koji Kubono, Keita Tani, Masaaki Omote, Futa Ogawa and Taisuke Matsumoto
Acta Cryst., 2018, E74, 1448-1450.


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