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Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Takaya D, Inaka K, Omura A, Takenuki K, Kawanishi M, Yabuki Y, Nakagawa Y, Tsuganezawa K, Ogawa N, Watanabe C, Honma T, Aritake K, Urade Y, Shirouzu M, Tanaka A. Takaya D, et al. Bioorg Med Chem. 2018 Sep 1;26(16):4726-4734. doi: 10.1016/j.bmc.2018.08.014. Epub 2018 Aug 11. Bioorg Med Chem. 2018. PMID: 30121213
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
Takaya D, Watanabe C, Nagase S, Kamisaka K, Okiyama Y, Moriwaki H, Yuki H, Sato T, Kurita N, Yagi Y, Takagi T, Kawashita N, Takaba K, Ozawa T, Takimoto-Kamimura M, Tanaka S, Fukuzawa K, Honma T. Takaya D, et al. J Chem Inf Model. 2021 Feb 22;61(2):777-794. doi: 10.1021/acs.jcim.0c01062. Epub 2021 Jan 29. J Chem Inf Model. 2021. PMID: 33511845
Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Inaba K, Ebihara K, Senda M, Yoshino R, Sakuma C, Koiwai K, Takaya D, Watanabe C, Watanabe A, Kawashima Y, Fukuzawa K, Imamura R, Kojima H, Okabe T, Uemura N, Kasai S, Kanuka H, Nishimura T, Watanabe K, Inoue H, Fujikawa Y, Honma T, Hirokawa T, Senda T, Niwa R. Inaba K, et al. Among authors: takaya d. BMC Biol. 2022 Feb 17;20(1):43. doi: 10.1186/s12915-022-01233-2. BMC Biol. 2022. PMID: 35172816 Free PMC article.
New antimalarials identified by a cell-based phenotypic approach: Structure-activity relationships of 2,3,4,9-tetrahydro-1H-β-carboline derivatives possessing a 2-((coumarin-5-yl)oxy)alkanoyl moiety.
Cho N, Kikuzato K, Futamura Y, Shimizu T, Hayase H, Kamisaka K, Takaya D, Yuki H, Honma T, Niikura M, Kobayashi F, Watanabe N, Osada H, Koyama H. Cho N, et al. Among authors: takaya d. Bioorg Med Chem. 2022 Jul 15;66:116830. doi: 10.1016/j.bmc.2022.116830. Epub 2022 May 14. Bioorg Med Chem. 2022. PMID: 35594648
24 results