Yoshinobu Nagura
5 Papers
Yoshinobu Nagura is an academic researcher. The author has contributed to research in topics: Hydrogen bond & Internal medicine. The author has an hindex of 1, co-authored 1 publications.
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Papers
Proposal of novel ApoE4 inhibitors from the natural spice Cinnamon for the treatment of Alzheimer's disease: Ab initio molecular simulations.
TL;DR: In this article , the authors used molecular docking, classical molecular mechanics optimizations, and ab initio fragment molecular orbital (FMO) calculations to investigate the specific interactions between ApoE4 and Cinnamon-derived compounds.
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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 +4 more
TL;DR: The current results evaluated using the ab initio FMO method will be useful for designing potent ApoE4 inhibitors that can be used as a candidate agent for AD treatment.
1
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 +8 more
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 +7 more
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,Prasat Kittakoop,Noriyuki Kurita,Pornpun Pungpo +12 more