About me
Education, appointments, awards, grants and invited lectures
Hajime SatoSATO Hajime
Associate Professor, The University of Tokyo
I study the biosynthetic mechanisms of terpenoids and other natural products — and engineer the enzymes behind them — using quantum chemistry, molecular dynamics and machine learning.
Contact:hsato[at]bi.a.u-tokyo.ac.jp (replace [at] with @) researchmap:researchmap.jp/hajimesato
Education
- 1987 Born in Kofu, Yamanashi, Japan
- 2006 Kofu Minami High School (Science and Mathematics Course)
- 2011 B.S. in Pharmaceutical Sciences, Tokyo University of Science
- 2013 M.S., Graduate School of Pharmaceutical Sciences, The University of Tokyo
- 2016 Ph.D. in Pharmaceutical Sciences, The University of Tokyo Advisor: Prof. Masanobu Uchiyama
Appointments
- 2014–2016 Junior Research Associate, RIKEN
- 2016–2021 Visiting Scientist, RIKEN (concurrent)
- 2016–2018 Project Researcher, Graduate School of Pharmaceutical Sciences, Chiba University Prof. Kazuki Saito / Assoc. Prof. Mami Yamazaki
- 2017–2018 Postdoctoral Researcher, University of California, Davis Prof. Dean J. Tantillo
- 2018–2020 Project Assistant Professor, Graduate School of Pharmaceutical Sciences, Chiba University
- 2020 JSPS Research Fellow (PD)
- 2020–2024 Research Fellow, Graduate School of Pharmaceutical Sciences, The University of Tokyo (concurrent)
- 2021–2024 Project Assistant Professor (PI), Department of Applied Chemistry, Faculty of Engineering, University of Yamanashi
- 2021–2024 MEXT Leading Initiative for Excellent Young Researchers (concurrent)
- 2021–2025 JST PRESTO Researcher, "Plant Molecules" (concurrent)
- 2025–2026 Assistant Professor, Graduate School of Agricultural and Life Sciences, The University of Tokyo
- 2026–2030 JST PRESTO Researcher, "R&D Process Innovation" (concurrent)
- 2026– Associate Professor, Computational Biology Laboratory, Department of Biotechnology, Graduate School of Agricultural and Life Sciences, The University of Tokyo
Awards
- 2023 JAICI Award, Japan Association for International Chemical Information
- 2022 PSJ Award for Young Scientists, Pharmaceutical Society of Japan
- 2021 Encouragement Award, Division of Pharmacognosy and Natural Products, Pharmaceutical Society of Japan
Research grants
Amounts and durations are listed on the publications page.
- 2026 JST さきがけ(2回目)「研究開発プロセス革新」 PI Full automation of computational chemistry by autonomous AI
- 2026 科研費 挑戦的研究「萌芽」 PI Development of a Rapid and Comprehensive Computational Approach to Terpene-forming Reactions Using Machine-Learning Potentials
- 2026 AI For Science (SPReAD) PI Full automation of docking simulations for terpene cyclases using autonomous AI agents
- 2024 科研費「基盤B」 PI Computational analysis and rational engineering of the reaction control mechanism in variexenol biosynthesis
- 2023 稲盛財団「研究助成」 PI Analysis of terpene cyclases through the interplay of experiment and computation
- 2023 公益財団法人 アステラス病態代謝研究会「研究助成」 PI Design of terpene cyclases through the interplay of computation and experiment
- 2022 科研費「若手研究」 PI Analysis of terpene cyclization based on computational, synthetic and biochemical approaches
- 2022 科研費「学術変革領域研究A」「予知生合成科学」計画班 Co-I Elucidating unknown biosynthetic pathways and creating unexplored natural products with computational science
- 2022 令和4年度山梨県大村智人材育成基金 山梨県若手研究者奨励事業 PI
- 2021 JST さきがけ(1回目)「植物分子」 PI Computational mechanistic analysis and engineering of terpene cyclases and oxidative enzymes
- 2021 上原記念生命科学財団 研究奨励金 PI Computational functional analysis of terpene cyclases
- 2021 テルモ生命科学振興財団 助成金 PI Structural diversity of natural products studied by theory and experiment
- 2020 MEXT 卓越研究員(代表) PI Pioneering unexplored natural product chemistry through theory and experiment
- 2020 日本学術振興会 特別研究員(PD) 研究奨励金 PI Analysis and design of plant secondary-metabolism enzymes using computation, genetic engineering and molecular biology
Invited lectures
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Dec 15–20, 2025
Pacifichem 2025, Hawaii, USA
Biosynthesis of Natural Products and Biomaterials (BIO009)
“Mechanistic Investigation of Terpene Cyclases using Computational Chemistry and Artificial Intelligence” - Aug 29, 2025 1st Japanese–Australasian Symposium on the Biosynthesis of Natural Products, Sydney, Australia “AI-Assisted Computational Study of Terpene Cyclization Mechanism”
- Aug 4–8, 2025 TERPNET 2025, Brisbane, Australia “AI-Assisted Prediction of Terpene Cyclization Mechanism”
- Jun 4, 2025 Digital Organic Synthesis Young Researchers Seminar, Iwate University, Japan “Computational analysis of terpene cyclases”
- Dec 9, 2024 Chemical Society of Japan, Kanto Branch Lecture, University of Yamanashi “Behind the scenes of molecules: discoveries guided by computational chemistry”
- Nov 25, 2024 Sakigake Project 2024 Seminar, Kanazawa University “Computational chemistry tackling terpene biosynthesis”
- Jun 13, 2024 Yokohama National University “Molecular design and reaction analysis centred on computational chemistry”
- Dec 20, 2023 Pharmaceutical Society of Japan, Kanto Branch Online Symposium “Biosynthetic mechanisms of natural products studied by theoretical calculations”
- Oct 19, 2023 Tokyo University of Science, Faculty of Pharmaceutical Sciences “Biosynthesis of natural products studied by theoretical calculations”
- Oct 13, 2023 Kofu Minami High School (SSH programme) “Pharmaceutical research: from fundamentals to the frontier”
- Nov 29, 2021 GTR Chemistry Workshop 2021, Nagoya University “Biosynthesis of natural products studied by theoretical calculations”
- Jan 29, 2020 RIKEN CSRS Informatics and Data Science Program Symposium “Origin of structural diversity in terpene biosynthesis revealed by computational chemistry”
- Oct 9, 2018 Young Plant Scientists Meeting, Chiba University “Biosynthesis of lysine-derived alkaloids studied by computation and experiment”
- Nov 2, 2017 Faculty of Agriculture, The University of Tokyo “Theoretical Studies on Terpene-Forming Carbocation Cyclization/Rearrangement Reactions”
Selected publications
1Enzymatic skeletal editing reaction forming the 1,3,5-triazine core during biosynthesis of the anticancer nucleoside analog 5-azacytidine
Nature Catalysis, 2026, accepted.
2Formal Chemoenzymatic Skeletal Editing of Fusicoccane Core to Access 6-Aza-fusicoccanes
JACS Au 2026, in press.
3<a id="2024JACS_Au">DFT Study on Retigerane-type Sesterterpenoid Biosynthesis: Initial Conformation of GFPP Regulates Biosynthetic Pathway, Ring-construction Order and Stereochemistry</a>
JACS Au, 2024, 4, 3484–3491.
4Revision of Peniroquesine Biosynthetic Pathway by Retro-biosynthetic Theoretical Analysis: Ring Strain Controls the Unique Carbocation Rearrangement Cascade
JACS Au, 2023, 3, 1596-1603.
5Elucidation of Late-stage Biosynthesis of Phomoidride: Proposal of Cyclization Mechanism Affording Characteristic 9-Membered Ring of Fungal Dimeric Anhydride
J. Am. Chem. Soc., 2022, 144, 20998-21004. (#: equall contribution)
6Molecular and Computational Bases for Spirofuranone Formation in Setosusin Biosynthesis
J. Am. Chem. Soc., 2021, 143, 17708–17715.
7DFT Study on the Biosynthesis of Verrucosane Diterpenoids and Mangicol Sesterterpenoids: Involvement of Secondary-carbocation-free Reaction Cascades
JACS Au, 2021, 1, 1231–1239.
8DFT Study of a Missing Piece in Brasilane-Type Structure Biosynthesis: An Unusual Skeletal Rearrangement
J. Am. Chem. Soc., 2020, 142, 19830–19834.
9Biosynthesis of Indole Diterpene Lolitrems: Radical‐Induced Cyclization of an Epoxyalcohol Affording a Characteristic Lolitremane Skeleton
Angew. Chem. Int. Ed., 2020, 59, 17996–18002.
10Functional Analysis of a Biosynthetic Gene Cluster Demonstrates Role of Spontaneous Double Bicyclo-ring Formation Including 8π–6π Electrocyclization in Shimalactone Biosynthesis
Angew. Chem. Int. Ed., 2020, 59, 8464–8470.
11Computational Studies on Biosynthetic Carbocation Rearrangements leading to Quiannulatene: Initial Conformation Regulates Biosynthetic Route, Stereochemistry, and Type of Skeleton.
Angew. Chem. Int. Ed., 2018, 57, 14752–14757.
12Structural and Computational Basis for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 2018, 140, 9743–9750.