創薬物理化学教室
創薬物理化学教室
English
田中信忠 教授
Ｘ線とコンピュータを相補的に活用し、薬の種になる分子を論理的に設計する。
大多数の薬の相互作用相手であるタンパク質の立体構造を知ることは、薬の形や性質のデザインに必須です。我々は、薬の標的となるタンパク質の立体構造をＸ線結晶構造解析という実験で決定し、その情報をコンピュータシミュレーションに活用して薬の種になる分子を論理的に設計することで、医薬品開発の効率化を目指します。
業績
Reverse N-Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR)
Mona A Abdullaziz, Sana Takada, Boris Illarionov, Lais Pessanha de Carvalho, Yasumitsu Sakamoto, Stefan H?fmann, Talea Knak, Anna-Lene Kiffe-Delf, Flaminia Mazzone, Klaus Pfeffer, Rainer Kalscheuer, Adelbert Bacher, Jana Held, Markus Fischer, Nobutada Tanaka, Thomas Kurz.
ACS Infectious Diseases, :4c00100 (2024)
https://doi.org/10.1021/acsinfecdis.4c00100
The stability of NPM1 oligomers regulated by acidic disordered regions controls the quality of liquid droplets
Mitsuru Okuwaki, Shin-Ichiro Ozawa, Shuhei Ebine, Motoki Juichi, Tadanobu Umeki, Kazuki Niioka, Taiyo Kikuchi, Nobutada Tanaka.
Journal of Biochemistry, 174 (5) :461-476 (2023)
https://doi.org/10.1093/jb/mvad061
Design and Pharmacological Chaperone Effects of N-(4'-Phenylbutyl)-DAB Derivatives Targeting the Lipophilic Pocket of Lysosomal Acid α-Glucosidase
Atsushi Kato, Izumi Nakagome, Maki Kise, Kousuke Yoshimura, Nobutada Tanaka, Robert J Nash, George W J Fleet, Yota Kobayashi, Hayato Ikeda, Takuya Okada, Naoki Toyooka.
Journal of Medicinal Chemistry, 66 (13) :9023-9039 (2023)
https://doi.org/10.1021/acs.jmedchem.3c00637
Over 40 Years of Fosmidomycin Drug Research: A Comprehensive Review and Future Opportunities
Talea Knak, Mona A. Abdullaziz, Stefan H?fmann, Leandro A. Alves Avelar, Saskia Klein, Matthew Martin, Markus Fischer, Nobutada Tanaka, Thomas Kurz.
Pharmaceuticals, 15 :1553 (2022)
https://doi.org/10.3390/ph15121553
The Stat3 Inhibitor F0648-0027 is a Potential Therapeutic Against Rheumatoid Arthritis
Yosuke Kaneko, Shin-ichiro Ozawa, Yuiko Sato, Tami Kobayashi, Tatsuaki Matsumoto, Kana Miyamoto, Shu Kobayashi, Kengo Harato, Shuichi Hirono, Morio Matsumoto, Masaya Nakamura, Yasuo Niki, Takeshi Miyamoto.
Biochemical and Biophysical Research Communications, 636 :133-140 (2022)
https://doi.org/10.1016/j.bbrc.2022.10.106
Introduction of C-alkyl branches to l-iminosugars changes their active site binding orientation
Atsushi Kato, Izumi Nakagome, Kosuke Yoshimura, Uta Kanekiyo, Mana Kishida, Kenta Shinzawa, Tian-Tian Lu, Yi-Xian Li, Robert J. Nash, George W. J. Fleet, Nobutada Tanaka, Chu-Yi Yu.
Organic & Biomolecular Chemistry, 20 (36) :7250-7260 (2022)
https://doi.org/10.1039/d2ob01099b
Synthesis and Evaluation of Habiterpenol Analogs
Miyuki Konya, Shiho Arima, Daiki Lee, Masaki Ohtawa, Kenta Shimoyama, Takashi Fukuda, Ryuji Uchida, Hiroshi Tomoda, Noriyuki Yamaotsu, Nobutada Tanaka, Tohru Nagamitsu.
Chemical and Pharmaceutical Bulletin, 70 (4) :261-268 (2022)
https://doi.org/10.1248/cpb.c21-00993
5-C-branched deoxynojirimycin: strategy for designing a 1-deoxynojirimycin-based pharmacological chaperone with a nanomolar affinity for Pompe disease
Atsushi Kato, Izumi Nakagome, Uta Kanekiyo, Tian-Tian Lu, Yi-Xian Li, Kosuke Yoshimura, Mana Kishida, Kenta Shinzawa, Tomoki Yoshida, Nobutada Tanaka, Yue-Mei Jia, Robert J. Nash, George W. J. Fleet, Chu-Yi Yu.
Journal of Medicinal Chemistry, 65 (3) :2329-2341 (2022)
https://doi.org/10.1021/acs.jmedchem.1c01673
Novel angular naphthopyrone formation by Arp1p dehydratase involved in Aspergillus fumigatus melanin biosynthesis
Natsuki Nambu, Huei-Fung Tsai, Yun C. Chang, K. J. Kwon-Chung, Tomoki Yoshida, Nobutada Tanaka, Hiroshi Tomoda, Yutaka Ebizuka, Isao Fujii.
Environmental Microbiology Reports, 13 (6) :822-829 (2021)
https://doi.org/10.1111/1758-2229.13013
Identification of novel EED-EZH2 PPI inhibitors using an in silico fragment mapping method
Kensuke Misawa, Noriyuki Yamaotsu, Shuichi Hirono.
Journal of Computer-Aided Molecular Design, 35 (5) :601-611 (2021)
https://doi.org/10.1007/s10822-021-00378-6