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Items: 1 to 20 of 49

1.

Elucidation of Molecular Mechanism of a Selective PPARα Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations.

Kawasaki M, Kambe A, Yamamoto Y, Arulmozhiraja S, Ito S, Nakagawa Y, Tokiwa H, Nakano S, Shimano H.

Int J Mol Sci. 2020 Jan 6;21(1). pii: E361. doi: 10.3390/ijms21010361.

2.

Hepatocyte ELOVL Fatty Acid Elongase 6 Determines Ceramide Acyl-Chain Length and Hepatic Insulin Sensitivity in Mice.

Matsuzaka T, Kuba M, Koyasu S, Yamamoto Y, Motomura K, Arulmozhiraja S, Ohno H, Sharma R, Shimura T, Okajima Y, Han SI, Aita Y, Mizunoe Y, Osaki Y, Iwasaki H, Yatoh S, Suzuki H, Sone H, Takeuchi Y, Yahagi N, Miyamoto T, Sekiya M, Nakagawa Y, Ema M, Takahashi S, Tokiwa H, Shimano H.

Hepatology. 2019 Sep 17. doi: 10.1002/hep.30953. [Epub ahead of print]

PMID:
31529722
3.

Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening.

Yamada S, Kawasaki M, Fujihara M, Watanabe M, Takamura Y, Takioku M, Nishioka H, Takeuchi Y, Makishima M, Motoyama T, Ito S, Tokiwa H, Nakano S, Kakuta H.

J Med Chem. 2019 Oct 10;62(19):8809-8818. doi: 10.1021/acs.jmedchem.9b00995. Epub 2019 Sep 18.

PMID:
31483660
4.

Total Synthesis of Termicalcicolanone A via Organocatalysis and Regioselective Claisen Rearrangement.

Ito S, Kitamura T, Arulmozhiraja S, Manabe K, Tokiwa H, Suzuki Y.

Org Lett. 2019 Apr 19;21(8):2777-2781. doi: 10.1021/acs.orglett.9b00731. Epub 2019 Apr 8.

PMID:
30958681
5.

Dual conformation of the ligand induces the partial agonistic activity of retinoid X receptor α (RXRα).

Miyashita Y, Numoto N, Arulmozhiraja S, Nakano S, Matsuo N, Shimizu K, Shibahara O, Fujihara M, Kakuta H, Ito S, Ikura T, Ito N, Tokiwa H.

FEBS Lett. 2019 Jan;593(2):242-250. doi: 10.1002/1873-3468.13301. Epub 2018 Dec 21.

6.

Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations.

Tokiwa T, Nakano S, Yamamoto Y, Ishikawa T, Ito S, Sladek V, Fukuzawa K, Mochizuki Y, Tokiwa H, Misaizu F, Shigeta Y.

J Chem Inf Model. 2019 Jan 28;59(1):25-30. doi: 10.1021/acs.jcim.8b00649. Epub 2018 Dec 20.

PMID:
30517784
7.

Protein Residue Networks from Energetic and Geometric Data: Are They Identical?

Sladek V, Tokiwa H, Shimano H, Shigeta Y.

J Chem Theory Comput. 2018 Dec 11;14(12):6623-6631. doi: 10.1021/acs.jctc.8b00733. Epub 2018 Nov 30.

PMID:
30500196
8.

25 S-Adamantyl-23-yne-26,27-dinor-1α,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex.

Otero R, Ishizawa M, Numoto N, Ikura T, Ito N, Tokiwa H, Mouriño A, Makishima M, Yamada S.

J Med Chem. 2018 Aug 9;61(15):6658-6673. doi: 10.1021/acs.jmedchem.8b00427. Epub 2018 Jul 23.

PMID:
29989817
9.

Benchmark Analysis of Native and Artificial NAD+-Dependent Enzymes Generated by a Sequence-Based Design Method with or without Phylogenetic Data.

Nakano S, Motoyama T, Miyashita Y, Ishizuka Y, Matsuo N, Tokiwa H, Shinoda S, Asano Y, Ito S.

Biochemistry. 2018 Jul 3;57(26):3722-3732. doi: 10.1021/acs.biochem.8b00339. Epub 2018 Jun 4.

10.

Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα.

Yamamoto Y, Takei K, Arulmozhiraja S, Sladek V, Matsuo N, Han SI, Matsuzaka T, Sekiya M, Tokiwa T, Shoji M, Shigeta Y, Nakagawa Y, Tokiwa H, Shimano H.

Biochem Biophys Res Commun. 2018 May 5;499(2):239-245. doi: 10.1016/j.bbrc.2018.03.135. Epub 2018 Mar 22.

PMID:
29567478
11.

Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.

Motoyama T, Nakano S, Yamamoto Y, Tokiwa H, Asano Y, Ito S.

Biochemistry. 2017 Oct 31;56(43):5758-5770. doi: 10.1021/acs.biochem.7b00832. Epub 2017 Oct 19.

PMID:
28992410
12.

Comparative Binding Analysis of Dipeptidyl Peptidase IV (DPP-4) with Antidiabetic Drugs - An Ab Initio Fragment Molecular Orbital Study.

Arulmozhiraja S, Matsuo N, Ishitsubo E, Okazaki S, Shimano H, Tokiwa H.

PLoS One. 2016 Nov 10;11(11):e0166275. doi: 10.1371/journal.pone.0166275. eCollection 2016.

13.

Origin of Stereoselectivity and Substrate/Ligand Recognition in an FAD-Dependent R-Selective Amine Oxidase.

Nakano S, Yasukawa K, Tokiwa T, Ishikawa T, Ishitsubo E, Matsuo N, Ito S, Tokiwa H, Asano Y.

J Phys Chem B. 2016 Oct 20;120(41):10736-10743. doi: 10.1021/acs.jpcb.6b09328. Epub 2016 Oct 10.

PMID:
27648606
14.

A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases: Insight into Neuraminidase-Inhibitor Interactions.

Sriwilaijaroen N, Magesh S, Imamura A, Ando H, Ishida H, Sakai M, Ishitsubo E, Hori T, Moriya S, Ishikawa T, Kuwata K, Odagiri T, Tashiro M, Hiramatsu H, Tsukamoto K, Miyagi T, Tokiwa H, Kiso M, Suzuki Y.

J Med Chem. 2016 May 26;59(10):4563-77. doi: 10.1021/acs.jmedchem.5b01863. Epub 2016 May 4.

PMID:
27095056
15.

Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds.

Watarai Y, Ishizawa M, Ikura T, Zacconi FC, Uno S, Ito N, Mouriño A, Tokiwa H, Makishima M, Yamada S.

J Med Chem. 2015 Dec 24;58(24):9510-21. doi: 10.1021/acs.jmedchem.5b00792. Epub 2015 Dec 15.

PMID:
26613420
16.

Structural and computational analysis of peptide recognition mechanism of class-C type penicillin binding protein, alkaline D-peptidase from Bacillus cereus DF4-B.

Nakano S, Okazaki S, Ishitsubo E, Kawahara N, Komeda H, Tokiwa H, Asano Y.

Sci Rep. 2015 Sep 15;5:13836. doi: 10.1038/srep13836.

17.

[Possibility of New Medicinal Chemistry Based on "Wet-Dry" Interfaced Pharmaceutical Category].

Tokiwa H.

Yakugaku Zasshi. 2015;135(9):1001-2. doi: 10.1248/yakushi.15-00175-F. Japanese. No abstract available.

18.

Synthetic Small Molecules Derived from Natural Vitamin K Homologues that Induce Selective Neuronal Differentiation of Neuronal Progenitor Cells.

Suhara Y, Hirota Y, Hanada N, Nishina S, Eguchi S, Sakane R, Nakagawa K, Wada A, Takahashi K, Tokiwa H, Okano T.

J Med Chem. 2015 Sep 10;58(17):7088-92. doi: 10.1021/acs.jmedchem.5b00999. Epub 2015 Aug 31.

PMID:
26305288
19.

Anti-MRSA activity of isoplagiochin-type macrocyclic bis(bibenzyl)s is mediated through cell membrane damage.

Onoda K, Sawada H, Morita D, Fujii K, Tokiwa H, Kuroda T, Miyachi H.

Bioorg Med Chem. 2015 Jul 1;23(13):3309-16. doi: 10.1016/j.bmc.2015.04.047. Epub 2015 May 6.

PMID:
25999206
20.

Amino acid substitutions contributing to α2,6-sialic acid linkage binding specificity of human parainfluenza virus type 3 hemagglutinin-neuraminidase.

Fukushima K, Takahashi T, Ueyama H, Takaguchi M, Ito S, Oishi K, Minami A, Ishitsubo E, Tokiwa H, Takimoto T, Suzuki T.

FEBS Lett. 2015 May 8;589(11):1278-82. doi: 10.1016/j.febslet.2015.03.036. Epub 2015 Apr 11.

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