Keiji Nishiwaki, Shiori Nakatani, Shinya Nakamura, Kenji Yoshioka, Eri Nakagawa, Masato Tsuyuguchi, Takayoshi Kinoshita, Isao Nakanishi. Enhanced inhibitory activity of compounds containing purine scaffolds compared to protein kinase CK2α considering crystalline water. RSC Medicinal Chemistry. 2024
Katsuki Takashima, Shinya Nakamura, Maiko Nagayama, Shinsuke Marumoto, Fumihiro Ishikawa, Weijia Xie, Isao Nakanishi, Osamu Muraoka, Toshio Morikawa, Genzoh Tanabe. Role of the thiosugar ring in the inhibitory activity of salacinol, a potent natural α-glucosidase inhibitor. RSC Advances. 2024. 14. 7. 4471-4481
Keiji Nishiwaki, Shinya Nakamura, Kenji Yoshioka, Eri Nakagawa, Shiori Nakatani, Masato Tsuyuguchi, Takayoshi Kinoshita, Isao Nakanishi. Design, Synthesis and Structure-Activity Relationship Studies of Protein Kinase CK2 Inhibitors Containing a Purine Scaffold. Chemical and Pharmaceutical Bulletin. 2023. 71. 7. 558-565
Tatsuo Akaki, Shinya Nakamura, Keiji Nishiwaki, Isao Nakanishi. Fragment Molecular Orbital based affinity prediction toward pyruvate dehydrogenase kinases: Insights into the charge transfer in hydrogen bond networks. Chemical and Pharmaceutical Bulletin. 2023. 71. 4. 299-306
Shinya Nakamura, Tatsuo Akaki, Keiji Nishiwaki, Midori Nakatani, Yuji Kawase, Yuki Takahashi, Isao Nakanishi. System truncation accelerates binding affinity calculations with the fragment molecular orbital method: A benchmark study. Journal of Computational Chemistry. 2022. 44. 7. 824-831