栗田典之 (Noriyuki Kurita) - マイポータル

基本情報

所属: 豊橋技術科学大学工学部情報・知能工学系准教授

学位: 博士(工学)(筑波大学)

J-GLOBAL ID: 200901082948125247
researchmap会員ID: 1000206904

外部リンク: http://www.klab.cs.tut.ac.jp

研究キーワード

研究分野

経歴

2007年4月 - 現在

豊橋技術科学大学, 情報・知能工学系, 准教授
2002年4月 - 2007年3月

豊橋技術科学大学, 工学部, 助教授
1996年7月 - 2002年3月

豊橋技術科学大学, 工学部, 助手
1996年 - 2002年

Lecturer, Toyohashi Univ. of Technology
2002年

- Associate Prof., Toyohashi Univ. of Technology
1989年4月 - 1996年6月

(株)日立製作所エネルギー研究所, 研究員
1989年 - 1996年

Researcher, Hitachi, Energy Research
Laboratory,

学歴

論文

229

Proposal of novel CYP3A4 inhibitors: Molecular simulations based on molecular mechanics and ab initio fragment molecular orbital methods

Nagomi Chimura, Shuta Takenaka, Yuma Sawada, Chisato Nakatani, Masayuki Yuguchi, Aika Ono, Khemitsara Sawatdee, Thimpika Pornprom, Paptawan Thongdee, Bongkotchawan Phakamwong …

In Silico Research in Biomedicine 2 100373 2026年5月査読有り最終著者責任著者
Specific interactions between fluorinated vitamin-D3 derivatives and vitamin-D receptor: molecular mechanics and ab initio fragment molecular orbital calculations

Masayuki Yuguchi, Shuta Takenaka, Chisato Nakatani, Yoshinobu Nagura, Haruna Sabishiro, Nagomi Chimura, Atsushi Kittaka, Midori Takimoto-Kamimura, Noriyuki Kurita

Journal of Molecular Modeling 32(2) 41 2026年1月14日査読有り最終著者責任著者
Designing Novel InhA Inhibitors for Antituberculosis Agents Using ab Initio Fragment Molecular Orbital Calculations

Thimpika Pornprom, Bongkochawan Pakamwong, Darunee Sukchit, Masayuki Yuguchi, Yoshinobu Nagura, Haruna Sabishiro, Nagomi Chimura, Auradee Punkvang, Paptawan Thongdee, Khomson Suttisintong …

ACS Omega 2025年7月2日査読有り責任著者
Cooperative inhibition in cytochrome P450 between a substrate and an apparent noncompetitive inhibitor

Yu Hirano, Sachiyo Yoneda, Kaori Yasuda, Noriyuki Kurita, Fumihiro Kawagoe, Bunzo Mikami, Teisuke Takita, Kiyoshi Yasukawa, Shinichi Ikushiro, Midori Takimoto-Kamimura …

Journal of Biological Chemistry 301(6) 108513-108513 2025年6月査読有り
Efficiency of QM/MM optimization and fragment molecular orbital calculations for investigating interactions between zinc metalloprotease and its inhibitors

Haruna Sabishiro, Yoshinobu Nagura, Nagomi Chimura, Masayuki Yuguchi, Chisato Nakatani, Shuta Takenaka, Himena Sugizaki, Noriyuki Kurita

Journal of Molecular Graphics and Modelling 137 108977-108977 2025年6月査読有り最終著者責任著者
Modification of MM force fields around heme-Fe in the CYP−ligand complex and ab initio FMO calculations for the complex

Yoshinobu Nagura, Haruna Sabishiro, Nagomi Chimura, Masayuki Yuguchi, Narutoshi Tada, Daichi Takimoto, Noriyuki Kurita

Journal of Molecular Graphics and Modelling 133 108875 2024年12月査読有り最終著者責任著者
In Silico Design of Natural Inhibitors of ApoE4 from the Plant Moringa oleifera: Molecular Docking and Ab Initio Fragment Molecular Orbital Calculations

Divya Shaji, Yoshinobu Nagura, Haruna Sabishiro, Ryo Suzuki, Noriyuki Kurita

Molecules 28(24) 8035-8035 2023年12月11日査読有り最終著者責任著者
Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations

Paptawan Thongdee, Yoshinobu Nagura, Haruna Sabishiro, Naruedon Phusi, Darunee Sukchit, Pharit Kamsri, Auradee Punkvang, Khomson Suttisintong, Pornpan Pungpo, Noriyuki Kurita

Journal of Biomolecular Structure and Dynamics 43(3) 1192-1205 2023年12月8日査読有り最終著者責任著者
Proposal of novel ApoE4 inhibitors from the natural spice Cinnamon for the treatment of Alzheimer's disease: Ab initio molecular simulations

Divya Shaji, Abhinav Das, Ryo Suzuki, Yoshinobu Nagura, Haruna Sabishiro, Noriyuki Kurita

Biophysical Chemistry 296 106990-106990 2023年5月査読有り最終著者責任著者
Exploration of plant based inhibitors against SARS-CoV-2 main protease through molecular simulations: A review

Shaji, D, Suzuki, R, Takimoto, D, Hashimoto, Y, Tada, N, Kurita, N

International Journal of Physical Medicine & Rehabilitation 11 660 2023年1月査読有り最終著者責任著者
Structure-based drug design of novel M. tuberculosis InhA inhibitors based on fragment molecular orbital calculations

Naruedon Phusi, Yuta Hashimoto, Naoki Otsubo, Kyohei Imai, Paptawan Thongdee, Darunee Sukchit, Pharit Kamsri, Auradee Punkvang, Khomson Suttisintong, Pornpan Pungpo …

Computers in Biology and Medicine 152 106434-106434 2023年1月査読有り最終著者責任著者
Natural inhibitors for severe acute respiratory syndrome coronavirus 2 main protease from Moringa oleifera, Aloe vera, and Nyctanthes arbor-tristis: molecular docking and ab initio fragment molecular orbital calculations

Divya Shaji, Ryo Suzuki, Shohei Yamamoto, Daisuke Orihashi, Noriyuki Kurita

Structural Chemistry 33(5) 1771-1788 2022年8月1日査読有り最終著者責任著者
FMO calculations for zinc metalloprotease: Fragmentation of amino-acid residues coordinated to zinc ion

Imai, K, Takimoto, D, Saito, R, Watanabe, C, Fukuzawa, K, Kurita, N

Chem-Bio Informatics Journal 22 21-25 2022年6月査読有り最終著者責任著者
Water molecule-mediated selective inhibition of bacterial zinc metalloproteinases by non-hydroxamate compounds: Ab initio molecular simulations

Saito, R, Imai, k, Takimoto, D, Ezawa, T, Sugiyama, S, Takimoto-Kamimura, M, Kurita, N

Journal of Molecular Graphics and Modelling 114 108200 2022年6月査読有り最終著者責任著者
Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculations

Imai, K, Saito, R, Ezawa, T, Sugiyama, S, Sylte, I, Kurita, N

Journal of Molecular Graphics and Modelling 110 108047 2022年1月査読有り最終著者責任著者
Specific interactions between the alkaline protease of P. aeruginosa and its natural peptide inhibitor: ab initio molecular simulations

Ryosuke Saito, Kyohei Imai, Shohei Yamamoto, Takuya Ezawa, Satoshi Sugiyama, Linn Samira Mari Evenseth, Ingebrigt Sylte, Noriyuki Kurita

Journal of Molecular Modeling 28(1) 10 2021年12月査読有り最終著者責任著者
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations

Divya Shaji, Shohei Yamamoto, Ryosuke Saito, Ryo Suzuki, Shunya Nakamura, Noriyuki Kurita

Biophysical Chemistry 275 106608-106608 2021年8月査読有り最終著者責任著者
Single-molecule junction spontaneously restored by DNA zipper

Harashima, T, Fujii, S, Jono, Y, Terakawa, T, Kurita, N, Kaneko, S, Kiguchi, M, Nishino, T

Nature Communications 12(1) 5762 2021年6月査読有り
Proposal of novel potent inhibitors against androgen receptor based on ab initio molecular orbital calculations

Shunya Nakamura, Ryosuke Saito, Shohei Yamamoto, Ittetsu Kobayashi, Ryosuke Takeda, Rie Suzuki, Kentaro Kawai, Midori Takimoto-Kamimura, Noriyuki Kurita

Journal of Molecular Graphics and Modelling 105 107873-107873 2021年6月査読有り最終著者責任著者
Proposal of novel inhibitors for vitamin-D receptor: Molecular docking, molecular mechanics and ab initio molecular orbital simulations

Shunya Nakamura, Ryosuke Saito, Shohei Yamamoto, Yuta Terauchi, Atsushi Kittaka, Midori Takimoto-Kamimura, Noriyuki Kurita

Biophysical Chemistry 270 106540-106540 2021年3月査読有り最終著者責任著者