Achievement
| 2024 | ||
| Publication | ||
| W. Imamura, T. Yamasaki, H. Kato, T. Ishikawa*, Computational study on the inhibition mechanism of cyclodextran against GTF-SI from Streptococcus mutans focusing on the glucan-binding domain, Carbohydrate Polymer Technologies and Applications, 7 (2024) 100473 (DOI: 10.1016/j.carpta.2024.100473) | ||
| S. Mizuta*, M. Tabira, N. Shichiro, T. Yamaguchi, J. Ishihara, T. Ishikawa*, Reaction Mechanism and Origin of Stereoselectivity in the Fluorination and Trifluoromethylthiolation of 2-Bromoamides with AgF and AgSCF3, Eur. J. Org. Chem., 27 (2024) e202301100 (DOI: 10.1002/ejoc.202301100) | ||
| 2023 | ||
| Publication | ||
| T. Toyomoto, K. Ono, T. Shiba, K. Momitani, T. Zhang, H. Tsutsuki, T. Ishikawa, K. Hoso, K. Hamada, A. Rahman, L. Wen, K. Yamamoto, M. Matsuoka, K. Hanaoka, T. Niidome, T. Akaike, T. Sawa, Alkyl Gallates Inhibit Serine O-Acetyltransferase in Bacteria and Enhance Susceptibility of Drug-Resistant Gram-Negative Bacteria to Antibiotics, Frontiers in Microbiology, 14 (2023) 1276447 (DOI: 10.3389/fmicb.2023.1276447) | ||
| W. Imamura, T. Yamasaki, H. Kato, T. Ishikawa*, Insights into the molecular interaction of cyclodextran with a guest molecule: A computational study, Carbohydrate Polymers, 301A (2023) 120315 (DOI: 10.1016/j.carbpol.2022.120315) | ||
| 2022 | ||
| Publication | ||
| H. Ozono, K. Mimoto, T. Ishikawa*, Quantification and Neutralization of Interfacial Electrostatic Potential and Visualization of Dispersion Interaction in VIINEC, J. Phys. Chem. B, 126 (2022) 8415, (DOI: 10.1021/acs.jpcb.2c05033) | ||
| Y. Kudo, M. Fujita, A. Ota, Y. Kamatari, Y. Tanaka, T. Ishikawa, T. Okada, N. Toyooka, N. Fujimoto, T. Matsunaga, A. Ikari, S. Endo*, Discovery and structure-based optimization of of novel Atg4B inhibitors for the treatment of castration-resistant prostate cancer, J. Med. Chem., 65 (2022) 4878, (DOI: 10.1021/acs.jmedchem.1c02113) | ||
| S. Urata*, O. I. Omotuyi, A. Izumisawa, T. Ishikawa, S. Mizuta, Y. Sakurai, T. Mizutani, H. Ueda, Y. Tanaka, J. Yasuda*, Identification of novel chemical compounds targeting filovirus VP40-mediated particle production Antiviral Res., 199 (2022) 105267, (DOI: 10.1016/j.antiviral.2022.105267) | ||
| S. Mizuta*, H. Otaki, T. Ishikawa, J. N. Makau, T. Yamaguchi, T. Fujimoto, N. Takakura, N. Sakauchi, S. Kitamura, H. Nono, R. Nishi, Y. Tanaka, K. Takeda, N. Nishida, K. Watanabe*, Lead Optimization of Influenza Virus RNA Polymerase Inhibitors Targeting PA-PB1 Interaction, J. Med. Chem., 65 (2022) 369, (DOI: 10.1021/acs.jmedchem.1c01527) | ||
| 2021 | ||
| Publication | ||
| S. Mizuta*, K. Kitamura, Y. Morii, J. Ishihara, T. Yanaguchi, T. Ishikawa, Trifluoromethylthiolation of hindered α-bromoamides with nucleophilic trifluoromethylthiolating reagents, J. Org. Chem., 86 (2021) 18017, (DOI: 10.1021/acs.joc.1c02316) | ||
| T. Ishikawa*, H. Ozono, K. Akisawa, R. Hatada, K. Okuwaki, Y. Mochizuki, Application of Visualization of the Interfacial Electrostatic Complementarity to Molecular Interaction Analysis on SARS-CoV-2 Spike Protein Receptor Binding Domain, J. Phys. Chem. Lett., 12 (2021) 11267, (DOI: 10.1021/acs.jpclett.1c02788) | ||
| H. Ozono，T. Ishikawa*, Visualization of the interfacial electrostatic complementarity: A method for analysis of protein-protein interaction based on ab initio quantum chemical calculations, J. Chem. Theory Comput. 17 (2021) 5600, (DOI: 10.1021/acs.jctc.1c00475) | ||
| M. M. N. Tun, K. Morita, T. Ishikawa*, S. Urata*, The antiviral effect of the chemical compounds targeting DED/EDh motifs of the viral proteins on Lymphocytic Choriomeningitis virus and SARS-CoV-2, Viruses, 13 (2021) 1220, (DOI: 10.3390/v13071220) | ||
| S. Mizuta*, K. Kitamura, A. Kitagawa, T. Yamaguchi, T. Ishikawa, A simple method for fluorination of α-bromoamides using silver fluoride, Chem. Eur. J., 27 (2021) 5930, (DOI: 10.1002/chem.202004769) | ||
| Book | ||
| Recent Advances of the Fragment Molecular Orbital Method; Y. Mochizuki, S. Tanaka, K. Fukuzawa Eds, Springer Nature Singapore Pte Ltd., 2021, Y. Komeji, T. Ishikawa, FMO interfaced with Molecular Dynamics simulation (Chapter 19 : 373-389) (DOI: 10.1007/978-981-15-9235-5_19) | ||
| Recent Advances of the Fragment Molecular Orbital Method; Y. Mochizuki, S. Tanaka, K. Fukuzawa Eds, Springer Nature Singapore Pte Ltd., 2021, T. Ishikawa, PAICS: Development of an Open-Source Software of Fragment Molecular Orbital Method for Biomolecule (Chapter 5 : 69-76) (DOI: 10.1007/978-981-15-9235-5_5) | ||
| Recent Advances of the Fragment Molecular Orbital Method; Y. Mochizuki, S. Tanaka, K. Fukuzawa Eds, Springer Nature Singapore Pte Ltd., 2021, Y. Mochizuki, T. Nakano, K. Sakakura, Y. Okiyama, H. Watanabe, K. Kato, Y. Akinaga, S. Sato, J. Yamamoto, K. Yamashita, T. Murase, T. Ishikawa, Y. Komeiji, Y. Kato, N. Watanabe, T. Tsukamoto, H. Mori, K. Okuwaki, S. Tanaka, A. Kato, C. Watanabe, K. Fukuzawa, The ABINIT-MP Program (Chapter 4 : 53-67) (DOI: 10.1007/978-981-15-9235-5_4) | ||
| 2020 | ||
| Publication | ||
| T. Ishikawa*, A novel method for analysis of the electrostatic complementarity of protein-protein interaction based on fragment molecular orbital method, Chem. Phys. Lett., 761 (2020) 138103, (DOI: 10.1016/j.cplett.2020.138103) | ||
| T. Miyazaki*, M. Sumiyoshi, J. Makau, S. Mizuta, Y. Tanaka, T. Ishikawa, K. Makimura, T. Hirayama, T. Takazono, T. Saijo, H. Yamaguchi, S. Shimamura, K. Yamamoto, Y. Imamura, N. Sakamoto, Y. Obase, K. Izumikawa, K. Yanagihara, S. Kohno, H. Mukae, Novel and potent antimicrobial effects of caspofungin on drug-resistant Candida and bacteria, Sci. Rep., 10 (2020) 17745, (DOI: 10.1038/s41598-020-74749-8) | ||
| D. Ishibashi*, T. Ishikawa, S. Mizuta, H. Tange, T. Nakagaki, T. Hamada, N. Nishida, Novel compounds identified by structure-based prion disease drug discovery using in silico screening delay the progression of an illness in prion-infected mice, Neurotherapeutics, 17 (2020), 1836, (DOI: 10.1007/s13311-020-00903-9) | ||
| J. N. Makau, K. Watanabe*, H. Otaki, S. Mizuta, T. Ishikawa, Y. O. Kamatari, and N. Nishida, A quinolinone compound inhibiting the oligomerization of nucleoprotein of influenza A virus prevents the selection of escape mutants, Viruses, 12 (2020) 337 (DOI: 10.3390/v12030337) | ||
| H. Yoshida, K. Sato, T. Ishikawa, T. Sakamoto, K. Yamagishi* Binding interaction analysis of RNA aptamer-Fc region of human immunoglobulin G using fragment molecular orbital calculation, Chem. Phys. Lett., 738 (2020) 126854 (DOI: 10.1016/j.cplett.2019.136854) | ||
| 2019 | ||
| Publication | ||
| F. Mi-ichi*, T. Ishikawa, Vo Kha Tama, S. Deloer, S. Hamano, T. Hamada, H. Yoshida, Characterization of Entamoeba histolytica adenosine 5'-phosphosulfate (APS) kinase; validation as a target and provision of leads for the development of new drugs against amoebiasis, PLOS Neglected Tropical Diseases, 13 (2019) e0007633 (DOI: 10.1371/journal.pntd.0007633) | ||
| S. Urata, T. Ishikawa, J. Yasuda*, Roles of YIGL sequence of Ebola virus VP40 on genome replication and particle production, J. Gen. Virol., 100 (2019) 1099-1111 (DOI: 10.1099/jgv.0.001286) | ||
| K. Yamaguchi, Y. O. Kamatari, F. Ono, H. Shibata, T. Fuse, A. Elhelaly, M. Fukuoka, T. Kimura, J. Hosokawa-Muto, T. Ishikawa, M. Tobiume, Y. Takeuchi, Y. Matsuyama, D. Ishibashi, N. Nishida, K. Kuwata*, A designer molecular chaperone against transmissible spongiform encephalopathy slows disease progression in mice and macaques, Nat. Biomed. Eng., 3 (2019) 206-219 (DOI: 10.1038/s41551-019-0349-8) | ||
| K. Okuda, M. Araki, T. Sakashita, B. Ma, R. Kanada, N. Yanagitani, A. Horiike, S. Koike, T. Oh-hara, K. Watanabe, K. Tamai, M. Maemondo, M. Nishio, T. Ishikawa, Y. Okuno, N. Fujita, R. Katayama*, Prediction of ALK Mutations Mediating ALK-TKIs Resistance and Drug Re-Purposing to Overcome the Resistance, EBioMedicine 41 (2019) 105-119 (DOI: 10.1016/j.ebiom.2019.01.019) | ||
| T. Tokiwa, S. Nakano*, Y. Yamamoto, T. Ishikawa, S. Ito, V. Sladek, K. Fukuzawa, Y. Mochizuki, H. Tokiwa*, F. Misaizu, Y. Shigeta*, Development of analysis toolkit to visualize interaction energies generated by fragment molecular orbital calculations J. Chem. Inf. Model. 59 (2019) 25-30 (DOI: 10.1021/acs.jcim.8b00649) | ||
| Y. Miyazaki, T. Ishikawa, Y. O. Kamatari, T. Nakagaki, H. Takatsuki, D. Ishibashi, K. Kuwata, N. Nishida,* R. Atarashi,* Identification of alprenolol hydrochloride as an anti-prion compound using surface plasmon resonance imaging, Mol. Neurobiol., 56 (2019) 367-377 (DOI: 10.1007/s12035-018-1088-7) | ||
| 2018 | ||
| Publication | ||
| T. Ishikawa,* K. Sakakura, Y. Mochizuki, RI-MP3 calculations of biomolecules based on the fragment molecular orbital method, J. Comput. Chem., 39 (2018) 1970-1978 (DOI: 10.1002/jcc.25368) | ||
| T. Ishikawa,* S. Mizuta, O. Kaneko, K. Yahata, Fragment Molecular Orbital Study of the Interaction Between Sarco/Endoplasmic Reticulum Ca2+-ATPase and Its Inhibitor Thapsigargin Toward Anti-Malarial Development, J. Phys. Chem. B, 122 (2018) 7970-7977 (DOI: 10.1021/acs.jpcb.8b04509) | ||
| T. Ishikawa,* Ab initio quantum chemical calculation of electron density, electrostatic potential, and electric field of biomolecule based on fragment molecular orbital method, Int. J. Quantum Chem., 118 (2018) e25535 (DOI: 10.1002/qua.25535) (selected as cover image) | ||
| S. Yamaguchi, N. Horie,* K. Satoh, T. Ishikawa, T. Mori, H. Maeda, Y. Fukuda, S. Ishizaka, T. Hiu, Y. Morofuji, T. Izumo, N. Nishida, T. Matsuo, Age of Donor of Human Mesenchymal Stem Cells Affects Structural and Functional Recovery after Cell Therapy Following Ischaemic Stroke, J. Cerebr. Blood. F. Met., 38 (2018) 1199-1212 (DOI: 10.1177/0271678X17731964) | ||
| Before 2017 | ||
| Private achievement list. | ||