Research field (3)：
Pharmaceuticals - chemistry and drug development
, Pharmaceuticals - analytical and physicochemistry
, Bio-, chemical, and soft-matter physics
Research keywords (4)：
分子動力学
, in silico Screening
, Molecular Dynamics
, in silico Screening
Research theme for competitive and other funds (18)：
2015 - 2018 Development of in silico fragment-based drug design method for rational drug discovery
2010 - 2012 Development of a new docking method using the hypothetical hydratedligand which take account of bridging water molecules
2009 - 2011 In silico drug design study targeting CRK-C3G interaction for future development of anticarcinogenic agent
2009 - 2011 Optimization of chitinase inhibitor with macrolide scaffold based on in silico drug discovery techniques
2006 - 2007 3D-pharmacophore analyses of transporter ligands for drug discovery studies in consideration of pharmacokinetics
2003 - 2004 Three-dimensional structure-activity relationships of drugs induced cardiovascular side effects (prolongation in the QT interval)
2000 - 2001 Determination of binding conformations of drugs to HAS and modeling of drug-HAS complex
2000 - 立体構造既知のタンパク質に対する薬物の結合サイト及び結合様式の計算化学的解析
2000 - Determination of the Binding Site and Binding Mode of Ligand Molecules for a Protein Using Computer-Aided Ligand Docking
1998 - 1999 Analysis of binding conformations of drugs to human serum albumin (site I and site II) by NMR measurements and computational calculations
1998 - 1999 分子動力学シミュレーションによるカルモデュリン-阻害剤複合体の溶液構造解析
1995 - 1996 Determination of Binding Conformation of Drugs to Human Serum Albumin by Molecular Dynamics Calculations and Transferred Nuclear Overhauser Effect Measurements
1993 - 1993 分子動力学シミュレーシヨンによる生体高分子の新しい立体配座解析法の研究
1991 - 1993 Prediction of Toxicity of Organic Chemicals Using Fuzzy Adaptive Least-Squares
1990 - Study on Protein Stability Using Molecular Dynamics/Free Energy Calculation
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Papers (60)：
Miyuki Konya, Shiho Arima, Daiki Lee, Masaki Ohtawa, Kenta Shimoyama, Takashi Fukuda, Ryuji Uchida, Hiroshi Tomoda, Noriyuki Yamaotsu, Nobutada Tanaka, et al. Synthesis and Evaluation of Habiterpenol Analogs. Chemical and Pharmaceutical Bulletin. 2022. 70. 4. 261-268
Kensuke Misawa, Noriyuki Yamaotsu, Shuichi Hirono. Identification of novel EED-EZH2 PPI inhibitors using an in silico fragment mapping method. Journal of Computer-Aided Molecular Design. 2021. 35. 5. 601-611
Ozawa S, Takahashi M, Yamaotsu N, Hirono S. Structure-based virtual screening for novel chymase inhibitors by in silico fragment mapping. J. Mol. Graph. Model. 2019. 89. 102-108
K. Kato, K. Fujii, T. Nakayoshi, Y. Watanabe, S. Fukuyoshi, K. Ohta, Y. Endo, N. Yamaotsu, S. Hirono, E. Kurimoto, et al. Structural differences between the ligand-binding pockets of estrogen receptors alpha and beta. Journal of Physics: Conference Series. 2018. 1136. 1
Yoshimi Ohashi, Hiroshi Iijima, Noriyuki Yamaotsu, Kanami Yamazaki, Shigeo Sato, Mutsumi Okamura, Kenji Sugimoto, Shingo Dan, Shuichi Hirono, Takao Yamori. Identification of a new inhibitor of the Golgi system, targeting ADP-ribosylation Factor 1 (Arf1) with potential for cancer therapy. CANCER RESEARCH. 2012. 72
(Ed. Nagase H) Chemistry of Opioids
Springer-Verlag 2011
(Ed. Gundertofte K, Jorgensen FS) Molecular Modeling and Prediction of Bioactivity
Kluwer Academic/Plenum Publishers 2000
Analysis of Affinities of Penicillins for a Class C β-Lactamase by Molecular Dynamics Simulations(共著)
Molecular Modeling and Prediction of Bioactivity, Kluwer Academic/Plenum Publishers 2000
Analysis of Affinities of Penicillins for a Class C beta-Lactamase by Molecular Dynamics Simulations
Molecular Modeling and Prediction of Bioactivity, Kluwer Academic/Plenum Publishers 2000
The Folding Simulation of α-Conotoxin MI Using Molecular Dynamics(共著)
Peptide Chemistry 1996, Protein Research Foundation 1997
Computational Structural Biology for DNA and Protein
1997 - 1999
Professional career (1)：
Ph. D. (Hokkaido University)
Work history (4)：
2022/04 - 現在 Associate Professor
2012/04 - 2022/03 Lecturer/Junior Associate Professor
2007/04 - 2012/03/31 Assistant Professor
1990/09 - 2007/03 Research Associate
Committee career (2)：
1999 - 2001 日本薬学会 ファルマシアトピックス小委員
1999 - 2001 The Pharmaceutical Society of Japan Topics subcommittee of Farumashia
Awards (6)：
2004/07 - CBI学会2004年大会ポスター優秀賞
2004 - CBI学会2004年大会 ポスター優秀賞
2003/11 - 第31回構造活性相関シンポジウムポスター賞
2003 - 第31回構造活性相関シンポジウム ポスター賞
2002/09 - 第3回CBI学会大会優秀論文賞(CBI学会2002年大会ポスター優秀賞)
2002 - 第3回CBI学会大会 優秀論文賞
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Association Membership(s) (8)：
The Japanese Society for the Study of Xenobiotics
, The Chem-Bio Informatics Society
, CBI学会
, 日本生物物理学会
, 日本薬学会
, Chem-Bio Informatics Society
, The Biophysical Society of Japan
, The Pharmaceutical Society of Japan
