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K. Kawai · SciRah

Researcher profile · Semantic Scholar

K. Kawai

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K. Kawai — researcher profile on SciRah

h-index: 15
Works: 70
Citations: 615

Most-cited papers

De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach
K. Kawai, N. Nagata, Yoshimasa Takahashi
2014Journal of Chemical Information and Modeling58 citations Open access
Semantic Scholar
Predictive Activity Profiling of Drugs by Topological-Fragment-Spectra-Based Support Vector Machines
K. Kawai, Satoshi Fujishima, Yoshimasa Takahashi
2008Journal of Chemical Information and Modeling45 citations
Semantic Scholar
Metal-ligand interactions: an analysis of zinc binding groups using the Protein Data Bank.
K. Kawai, N. Nagata
2012European journal of medicinal chemistry43 citations
Semantic Scholar
Weinreb Amide Directed Versatile C-H Bond Functionalization under (η5 -Pentamethylcyclopentadienyl)cobalt(III) Catalysis.
K. Kawai, Youka Bunno, Tatsuhiko Yoshino, S. Matsunaga
2018Chemistry36 citations
Semantic Scholar
Cp*CoIII-catalyzed directed C-H trifluoromethylthiolation of 2-phenylpyridines and 6-arylpurines.
Misaki Yoshida, K. Kawai, R. Tanaka, Tatsuhiko Yoshino +1 more
2017Chemical Communications31 citations Open access
Semantic Scholar
N-Phosphano nitrogen-containing five-membered aromatic chiral α-sulfoxides as new chiral ligands in asymmetric palladium-catalyzed allylic alkylation: stereoelectronic effects of the substituents on the aromatic rings
K. Hiroi, I. Izawa, Toshiya Takizawa, K. Kawai
200430 citations
Semantic Scholar
Reverse hydroxamate-based selective TACE inhibitors.
N. Kamei, Tomohiro Tanaka, K. Kawai, Kyosei Miyawaki +6 more
2004Bioorganic & Medicinal Chemistry Letters28 citations Open access
Semantic Scholar
Synthesis of the AB-ring segment for the convergent construction of the left half in ciguatoxin
Hideki Tanaka, K. Kawai, K. Fujiwara, A. Murai
200223 citations
Semantic Scholar
Convergent Synthesis of the BCDE-Ring Part of Ciguatoxin
K. Fujiwara, Y. Koyama, K. Kawai, Hideki Tanaka +1 more
200222 citations
Semantic Scholar
Convergent Syntheses of the Enantiomeric CD- and JK-Ring Parts of Ciguatoxin
K. Fujiwara, D. Takaoka, K. Kusumi, K. Kawai +1 more
200120 citations
Semantic Scholar
Formation of Isolable Dearomatized [4 + 2] Cycloadducts from Benzenes, Naphthalenes, and N-Heterocycles Using 1,2-Dihydro-1,2,4,5-tetrazine-3,6-diones as Arenophiles under Visible Light Irradiation.
Kazuki Ikeda, Riku Kojima, K. Kawai, Takayasu Murakami +4 more
2023Journal of the American Chemical Society19 citations Open access
Semantic Scholar
Discovery of 2-(cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as a new series of potent phosphodiesterase 7 inhibitors.
K. Kawai, Y. Endo, T. Asano, S. Amano +7 more
2014Journal of Medicinal Chemistry19 citations Open access
Semantic Scholar
2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy.
Y. Endo, K. Kawai, T. Asano, S. Amano +8 more
2015Bioorganic & Medicinal Chemistry Letters17 citations Open access
Semantic Scholar
Identification of the Dual Action Antihypertensive Drugs Using TFS-Based Support Vector Machines
K. Kawai, Yoshimasa Takahashi
200917 citations Open access
Semantic Scholar
Lead Evaluation of Tetrahydroquinolines as Nonsteroidal Selective Androgen Receptor Modulators for the Treatment of Osteoporosis
N. Nagata, Kazuyuki Furuya, Nao Oguro, Daisuke Nishiyama +5 more
2014ChemMedChem15 citations
Semantic Scholar
1,2-Disubstituted 1,2-Dihydro-1,2,4,5-tetrazine-3,6-dione as a Dynamic Covalent Bonding Unit at Room Temperature.
K. Kawai, Kazuki Ikeda, A. Sato, Akira Kabasawa +6 more
2022Journal of the American Chemical Society14 citations Open access
Semantic Scholar
Proposal of potent inhibitors for vitamin-D receptor based on ab initio fragment molecular orbital calculations.
Ryosuke Takeda, Ittetsu Kobayashi, Rie Suzuki, K. Kawai +3 more
2018Journal of Molecular Graphics and Modelling14 citations
Semantic Scholar
Specific interactions between vitamin-D receptor and its ligands: Ab initio molecular orbital calculations in water.
Ryosuke Takeda, Ittetsu Kobayashi, Kanako Shimamura, Hiromi Ishimura +5 more
2017Journal of Steroid Biochemistry and Molecular Biology13 citations
Semantic Scholar
Specific interactions between androgen receptor and its ligand: ab initio molecular orbital calculations in water.
Ittetsu Kobayashi, Ryosuke Takeda, Rie Suzuki, Kanako Shimamura +5 more
2017Journal of Molecular Graphics and Modelling13 citations
Semantic Scholar
Subtle Structural Changes in Tetrahydroquinolines, A New Class of Nonsteroidal Selective Androgen Receptor Modulators, Induce Different Functions
N. Nagata, K. Kawai, I. Nakanishi
2012Journal of Chemical Information and Modeling13 citations
Semantic Scholar
Copper-catalyzed Oxidative Trifluoromethylation of Terminal Alkenes Using AgCF3.
Yukiko Karuo, T. Hayashi, Atsushi Tarui, Kazuyuki Sato +2 more
2020Journal of Organic Chemistry9 citations Open access
Semantic Scholar
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 +3 more
2020Computational and Structural Biotechnology Journal8 citations Open access
Semantic Scholar
Structural modification of indomethacin toward selective inhibition of COX-2 with a significant increase in van der Waals contributions.
Akari Ikeda, Eishi Funakoshi, M. Araki, Biao Ma +6 more
2019Bioorganic & Medicinal Chemistry8 citations
Semantic Scholar
Synthesis of new fluorescent molecules having an aggregation-induced emission property derived from 4-fluoroisoxazoles
Kazuyuki Sato, Akira Kawasaki, Yukiko Karuo, Atsushi Tarui +2 more
2020Beilstein Journal of Organic Chemistry7 citations Open access
Semantic Scholar
Discovery and SAR study of 2-(4-pyridylamino)thieno[3,2-d]pyrimidin-4(3H)-ones as soluble and highly potent PDE7 inhibitors.
Y. Endo, K. Kawai, T. Asano, S. Amano +8 more
2015Bioorganic & Medicinal Chemistry Letters7 citations Open access
Semantic Scholar
Importance of the Azole Moiety of Cimetidine Derivatives for the Inhibition of Human Multidrug and Toxin Extrusion Transporter 1 (hMATE1).
Susumu Shinya, K. Kawai, Atsushi Tarui, Yukiko Karuo +7 more
2021Chemical and pharmaceutical bulletin6 citations Open access
Semantic Scholar
One-Step Synthesis of 4H-3,1-Benzoxazin-4-ones from Weinreb Amides and 1,4,2-Dioxazol-5-ones via Cobalt-Catalyzed C–H Bond Activation
S. Matsunaga, Tatsuhiko Yoshino, Iku Tanimoto, K. Kawai +1 more
2019Heterocycles6 citations Open access
Semantic Scholar
Specific interactions between vitamin D receptor and ligand depending on its chirality: ab initio fragment molecular orbital calculations
Ryosuke Takeda, Rie Suzuki, Ittetsu Kobayashi, K. Kawai +3 more
20186 citations Open access
Semantic Scholar
A Mini-review on Chemoinformatics Approaches for Drug Discovery
N. Kawashita, Hiroyuki Yamasaki, Tomoyuki Miyao, K. Kawai +5 more
20156 citations Open access
Semantic Scholar
Generation of Target-Selective Drug Candidate Structures Using Molecular Evolutionary Algorithmwith SVM Classifiers
K. Kawai, Kazutaka Yoshimaru, Yoshimasa Takahashi
20116 citations Open access
Semantic Scholar
Ferulic acid alleviates abnormal behaviors in isolation-reared mice via 5-HT1A receptor partial agonist activity
Ryota Araki, Akira Yasubuchi, M. Ikegaya, Chihiro Hojo +5 more
2021Psychopharmacology5 citations
Semantic Scholar
One-Pot Ring-Opening Peptide Synthesis Using α,α-Difluoro-β-Lactams
Atsushi Tarui, Masakazu Ueo, M. Morikawa, Masahiko Tsuta +6 more
2020Synthesis5 citations Open access
Semantic Scholar
Metal‐Free Arylation of Pyridine/Quinoline N‐Oxides with Indoles
Ryo Tsunokawa, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato +4 more
2023Annalen der Pharmacie4 citations
Semantic Scholar
Reactions Using Freons and Halothane as Halofluoroalkyl/Halofluoroalkenyl Building Blocks
Yukiko Karuo, Atushi Tarui, Kazuyuki Sato, K. Kawai +1 more
2023The chemical record4 citations
Semantic Scholar
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 +2 more
2021Beilstein Journal of Organic Chemistry4 citations Open access
Semantic Scholar
Effect of Structural Descriptors on the Design of Cyclin Dependent Kinase Inhibitors Using Similarity‐based Molecular Evolution
K. Kawai, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato +1 more
2020Molecular Informatics4 citations
Semantic Scholar
Synthesis of Small Fluorescent Molecules and Evaluation of Photophysical Properties.
Futa Ogawa, Yukiko Karuo, R. Yamazawa, K. Miyanaga +10 more
2019Journal of Organic Chemistry4 citations
Semantic Scholar
Discovery of benzyloxyphenyl- and phenethylphenyl-imidazole derivatives as a new class of ante-drug type boosters.
K. Kawai, Junya Okada, Mizuki Nakae, Toshiki Tsujimura +6 more
2022Bioorganic & Medicinal Chemistry Letters3 citations
Semantic Scholar
Simple synthesis of multi-halogenated alkenes from 2-bromo-2-chloro-1,1,1-trifluoroethane (halothane)
Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, K. Kawai +1 more
2022Beilstein Journal of Organic Chemistry3 citations Open access
Semantic Scholar
Identification and Synthesis of DDI-6, a Quinolinol Analog Capable of Activating Both Caenorhabditis elegans and Mouse Spermatozoa.
Yukiko Karuo, Riona Shiraki, A. Yoshida, Ryo Tsunokawa +6 more
2021Chemical and pharmaceutical bulletin3 citations Open access
Semantic Scholar
Construction of new quaternary carbon center of fluorinated isoxazolines at C5 position via C-F bond cleavage.
Kazuyuki Sato, Kazuki Nakano, T. Ueda, Yukine Kitamura +5 more
2024Journal of fluorine chemistry2 citations
Semantic Scholar
Pentafluorosulfanyl-substituted biaryl derivatives as MATE-type transporter inhibitors targeting drug-resistant bacteria.
Susumu Shinya, K. Kawai, Naoki Kobayashi, Yukiko Karuo +4 more
2024Bioorganic & Medicinal Chemistry2 citations
Semantic Scholar
Decarboxylative Aldol Reaction of α,α-Difluoro-β-keto Esters: Easy Access to Difluoroenolate
Atsushi Tarui, H. Shimomura, Yohei Yasuno, Yukiko Karuo +3 more
2024ACS Omega2 citations Open access
Semantic Scholar
Fluorophenylalkyl-substituted cyanoguanidine derivatives as bacteria-selective MATE transporter inhibitors for the treatment of antibiotic-resistant infections.
Susumu Shinya, K. Kawai, Naoki Kobayashi, Yukiko Karuo +4 more
2022Bioorganic & Medicinal Chemistry2 citations Open access
Semantic Scholar
LCP: Simple Representation of Docking Poses for Machine Learning: A Case Study on Xanthine Oxidase Inhibitors
K. Kawai, Y. Asanuma, Toshiki Kato, Yukiko Karuo +3 more
2021Molecular Informatics2 citations
Semantic Scholar
Effect of Learning Dataset for Identification of Active Molecules: A Case Study of Integrin αIIbβ3 Inhibitors
K. Kawai, Mami Tomonou, Yume Machida, Yukiko Karuo +5 more
2021Molecular Informatics2 citations
Semantic Scholar
Stereoselective Synthesis of Multisubstituted α-fluoro-β-lactams
Atsushi Tarui, Yukiko Karuo, Kazuyuki Sato, K. Kawai +1 more
2020Current organic chemistry2 citations
Semantic Scholar
In vitro demonstration of antedrug mechanism of a pharmacokinetic booster to improve CYP3A4 substrates by CYP3A4-mediated metabolism inhibition.
M. Kataoka, Sae Takenaka, Shota Fujii, Takato Masada +5 more
2024Drug Metabolism and Pharmacokinetics1 citations
Semantic Scholar
Proposal of novel potent inhibitors against androgen receptor based on ab initio molecular orbital calculations.
Shunya Nakamura, Ryosuke Saito, Shohei Yamamoto, Ittetsu Kobayashi +5 more
2021Journal of Molecular Graphics and Modelling1 citations
Semantic Scholar
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 +3 more
20162016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA)1 citations
Semantic Scholar

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