Research
Faculty Members
Quantum life science and bioinformatics（Biology）
Tian YushiAssistant professor
He is studying and conducting research on informational pharmacy using computers and supercomputers. He is a person facing the world of integrating programming and pharmaceutical knowledge.
Research theme
Analysis of protein-ligand interactions by molecular simulation (Computational Chemistry)
Composition of activity and toxicity prediction modeling (Quantitative Pharmacy)
Analysis of adverse drug reaction database (Social Information Pharmacy)
Development of pharmaceutical science related applications (Software Development)
Representative achievements
K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian, Y. Kawashima, N. Kawashita, T. Takagi, K. Fukuzawa. Intermolecular Interaction Analyses on SARS-CoV-2 Spike Protein Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/Peptide Using Fragment Molecular Orbital Calculation. The Journal of Physical Chemistry Letters 12(16), 4059–4066 (2021).
K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian*, Y. Kawashima, N. Kawashita, K. Fukuzawa, T. Takagi. Computational ab initio interaction analyses between neutralizing antibody and SARS-CoV-2 variant spike proteins using the fragment molecular orbital method. Bulletin of the Chemical Society of Japan 94(6), 1794–1798 (2021).
H. Moriwaki, Y.S. Tian, N. Kawashita, T. Takagi, Three-Dimensional Classification Structure-Activity Relationship Analysis Using Convolutional Neural Network. Chem. Pharm. Bull. 67(5), 426-432 (2019).
Y. Zhou, S. Leung, S. Mizutani, T. Takagi, Y.S. Tian*. MEPHAS: an interactive graphical user interface for medical and pharmaceutical statistical analysis with R and Shiny. BMC Bioinformatics 21, 183 (2020).
H. Moriwaki, Y.S. Tian, N. Kawashita, T. Takagi. Mordred: A molecular descriptor calculator. Journal of Cheminformatics 10 (1) (2018).
Martin, Y. Zhou, T. Takagi, Y.S. Tian*. Efficacy and safety among second-generation and other basal insulins in adult patients with type 1 diabetes: a systematic review and network meta-analysis. Naunyn-Schmiedeberg's Archives of Pharmacology (2021).
A., Hatabu, X. Mao, Y. Zhou, N. Kawashita, Z. Wen, M. Ueda, T. Takagi, Y.S. Tian*. Knowledge, attitudes, and practices toward COVID-19 among university students in Japan and associated factors: An online cross-sectional survey. PLoS ONE 15(12): e0244350 (2020).
T. Murai, N. Kawashita, Y.S. Tian, T. Takagi. In silico analysis of enantioselective binding of immunomodulatory imide drugs to cereblon SpringerPlus,5(1) 1122-1128, (2016).
C. Verathamjamras, Y.S. Tian, N. Kawashita, K. Okamoto, T. Yasunaga, K. Ikuta, K. Motomura, N. Takeda, T. Takagi, M. Kameoka, Search for Low Molecular Weight Compounds that Inhibit Human Immunodeficiency Virus Type 1 Replication. J. Infect. Dis. Ther.,3(3), 1-8 (2015).
Y.S. Tian, C. Verathamjamras, N. Kawashita, K. Okamoto, T. Yasunaga, K. Ikuta, M. Kameoka, T. Takagi Discovery of novel low-molecular-weight HIV-1 inhibitors interacting with cyclophilin A using in silico screening and biological evaluations. J Mol Model. 19(1), 465-75 (2013).
