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Local QSAR based on quantum chemistry calculations for the stability of nitrenium ions to reduce false positive outcomes from standard QSAR systems for the mutagenicity of primary aromatic amines.
Muto S, Furuhama A, Yamamoto M, Otagiri Y, Koyama N, Hitaoka S, Nagato Y, Ouchi H, Ogawa M, Shikano K, Yamada K, Ono S, Hoki M, Ishizuka F, Hagio S, Takeshita C, Omori H, Hashimoto K, Chikura S, Honma M, Sugiyama KI, Mishima M. Muto S, et al. Among authors: hitaoka s. Genes Environ. 2024 Nov 21;46(1):24. doi: 10.1186/s41021-024-00318-4. Genes Environ. 2024. PMID: 39574188 Free PMC article.
Asking the right questions for mutagenicity prediction from BioMedical text.
Acharya S, Shinada NK, Koyama N, Ikemori M, Nishioka T, Hitaoka S, Hakura A, Asakura S, Matsuoka Y, Palaniappan SK. Acharya S, et al. Among authors: hitaoka s. NPJ Syst Biol Appl. 2023 Dec 18;9(1):63. doi: 10.1038/s41540-023-00324-2. NPJ Syst Biol Appl. 2023. PMID: 38110446 Free PMC article.
In Vitro Metabolism of 2-Methoxy-N-[3-[4-[3-methyl-4-[(6-methyl- 3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide (CP-724,714) by Aldehyde Oxidase and Predicting Its Percent Contribution Relative to CYP-Mediated Metabolism.
Inoue K, Kikuchi K, Takahashi K, Hitaoka S, Kusano K, Komori T. Inoue K, et al. Among authors: hitaoka s. Drug Metab Dispos. 2023 Aug;51(8):962-969. doi: 10.1124/dmd.122.000995. Epub 2023 May 15. Drug Metab Dispos. 2023. PMID: 37188528
Energetic Mechanism of Cytochrome c-Cytochrome c Oxidase Electron Transfer Complex Formation under Turnover Conditions Revealed by Mutational Effects and Docking Simulation.
Sato W, Hitaoka S, Inoue K, Imai M, Saio T, Uchida T, Shinzawa-Itoh K, Yoshikawa S, Yoshizawa K, Ishimori K. Sato W, et al. Among authors: hitaoka s. J Biol Chem. 2016 Jul 15;291(29):15320-31. doi: 10.1074/jbc.M115.708065. Epub 2016 May 13. J Biol Chem. 2016. PMID: 27226541 Free PMC article.
16 results