Yoshihiro Yamanishi 研究室

主宰者：Yoshihiro Yamanishi

名古屋大学

AI 要約（直近 5 年の研究成果）

本研究室は、疾患の治療法開発における計算科学的アプローチを中核としています。具体的には、ゲノムデータ、トランスクリプトムデータ、タンパク質情報など大規模な生物学的情報を機械学習により解析し、疾患に対する有効な治療薬の候補となるタンパク質や化合物を予測することに取り組んでいます。特に希少疾患や難治性疾患のように既知の治療標的が少ない疾患に対して、複数のデータソースを統合した予測手法を開発し、新規治療標的の同定を実現しています。さらに、機械学習と深層学習を用いた化合物設計にも注力しています。遺伝子発現プロファイルから直接的に生物活性を持つ化合物を生成するシステムや、複数のタンパク質に同時に作用する多標的化合物の設計、細胞膜透過性を考慮したペプチド医薬の自動生成など、疾患の分子的特性を反映した医薬品の創製を実現する手法を展開しています。また細胞の直接転換を誘導する化合物の探索や、食品と疾患の関連性の予測など、医薬だけに限らず広範な応用研究も行っており、生物学的データと計算化学を融合させた包括的な創薬プラットフォームの構築を目指しています。

※ AI（Claude）が、公開されている論文要旨から研究の問い・手法・主要な発見を事実情報として抽出・再構成して自動生成しています。誤りを含む可能性があるため、正確性は研究室公式情報でご確認ください。

外部リンク

研究成果（57 件）

[2026] Simulation-guided chemical direct reprogramming informed by temporal cellular conversion processes at the single-cell level
DOI: https://doi.org/10.1038/s42004-026-01991-y
[2026] Differences in reactive metabolite formation and cytochrome P450 binding between acetaminophen and its bicyclo[1.1.1]pentane bioisostere
DOI: https://doi.org/10.1016/j.dmpk.2026.101539
[2026] Mechanism-based prediction of drug synergy via network controllability analysis of therapeutic pathways in intractable diseases
DOI: https://doi.org/10.1016/j.isci.2026.115339
[2025] Discovery and Structural Optimization of a Novel Serine Racemase Inhibitor with a Pyridazine Skeleton
DOI: https://doi.org/10.1002/slct.202505651
[2025] InstGAN: Instant Actor-Critic-Driven GAN for De Novo Molecule Generation and Property Optimization
DOI: https://doi.org/10.24963/ijcai.2025/694
[2025] Human Microbiome-Based Prediction of Health Effects of Foods via Machine Learning
DOI: https://doi.org/10.1021/acs.jafc.5c06318
[2025] Drug Search and Design Considering Cell Specificity of Chemically Induced Gene Expression Profiles for Disease‐Associated Tissues
DOI: https://doi.org/10.1002/minf.2444
[2025] Big data-driven target identification by machine learning: DRD2 as a therapeutic target for psoriasis
DOI: https://doi.org/10.1016/j.jdermsci.2025.04.012
[2025] Therapeutic target prediction for orphan diseases integrating genome-wide and transcriptome-wide association studies
DOI: https://doi.org/10.1038/s41467-025-58464-4
[2025] SSL-VQ: vector-quantized variational autoencoders for semi-supervised prediction of therapeutic targets across diverse diseases
DOI: https://doi.org/10.1093/bioinformatics/btaf039

続きを表示（残り 47 件）

[2025] Establishing the Asia & Pacific Bioinformatics Joint Congress: a historic milestone in regional bioinformatics collaboration
DOI: https://doi.org/10.1093/bib/bbaf678
[2025] Development of FTase inhibitors inspired by the structures of andrastins
DOI: https://doi.org/10.1016/j.rechem.2025.102828
[2024] GxVAEs: Two Joint VAEs Generate Hit Molecules from Gene Expression Profiles
DOI: https://doi.org/10.1609/aaai.v38i12.29248
[2024] DIRECTEUR: transcriptome-based prediction of small molecules that replace transcription factors for direct cell conversion
DOI: https://doi.org/10.1093/bioinformatics/btae048
[2024] Automatic generation of functional peptides with desired bioactivity and membrane permeability using Bayesian optimization
DOI: https://doi.org/10.1002/minf.202300148
[2024] Network-based identification of diagnosis-specific trans-omic biomarkers via integration of multiple omics data
DOI: https://doi.org/10.1016/j.biosystems.2024.105122
[2024] A network-based trans-omics approach for predicting synergistic drug combinations
DOI: https://doi.org/10.1038/s43856-024-00571-2
[2024] Transcriptionally Conditional Recurrent Neural Network for De Novo Drug Design
DOI: https://doi.org/10.1021/acs.jcim.4c00531
[2024] Revealing Comprehensive Food Functionalities and Mechanisms of Action through Machine Learning
DOI: https://doi.org/10.1021/acs.jcim.4c00061
[2024] De novo generation of dual-target compounds using artificial intelligence
DOI: https://doi.org/10.1016/j.isci.2024.111526
[2024] AI-driven transcriptome profile-guided hit molecule generation
DOI: https://doi.org/10.1016/j.artint.2024.104239
[2024] TRAITER: transformer-guided diagnosis and prognosis of heart failure using cell nuclear morphology and DNA damage marker
DOI: https://doi.org/10.1093/bioinformatics/btae610
[2024] Pathway‐based prediction of the therapeutic effects and mode of action of custom‐made multiherbal medicines
DOI: https://doi.org/10.1002/minf.202400108
[2024] Predicting therapeutic and side effects from drug binding affinities to human proteome structures
DOI: https://doi.org/10.1016/j.isci.2024.110032
[2024] Quantitative evaluation of molecular generation performance of graph-based GANs
DOI: https://doi.org/10.1007/s11219-024-09671-7
[2024] Ligand-based virtual-screening identified a novel CFTR ligand which improves the defective cell surface expression of misfolded ABC transporters
DOI: https://doi.org/10.3389/fphar.2024.1370676
[2024] Galectin-10 in serum extracellular vesicles reflects asthma pathophysiology
DOI: https://doi.org/10.1016/j.jaci.2023.12.030
[2023] De novo drug design based on patient gene expression profiles via deep learning
DOI: https://doi.org/10.1002/minf.202300064
[2023] Design and structural optimization of thiadiazole derivatives with potent GLS1 inhibitory activity
DOI: https://doi.org/10.1016/j.bmcl.2023.129438
[2023] Mode Collapse Alleviation of Reinforcement Learning-based GANs in Drug Design
DOI: https://doi.org/10.1109/bibm58861.2023.10385948
[2023] Myocardial DNA Damage Predicts Heart Failure Outcome in Various Underlying Diseases
DOI: https://doi.org/10.1016/j.jchf.2023.09.027
[2023] A community effort in SARS‐CoV‐2 drug discovery
DOI: https://doi.org/10.1002/minf.202300262
[2023] Elucidating disease-associated mechanisms triggered by pollutants via the epigenetic landscape using large-scale ChIP-Seq data
DOI: https://doi.org/10.1186/s13072-023-00510-w
[2023] EarlGAN: An enhanced actor–critic reinforcement learning agent-driven GAN for de novo drug design
DOI: https://doi.org/10.1016/j.patrec.2023.10.001
[2023] <i>De Novo</i> Generation of Chemical Structures of Inhibitor and Activator Candidates for Therapeutic Target Proteins by a Transformer-Based Variational Autoencoder and Bayesian Optimization
DOI: https://doi.org/10.1021/acs.jcim.3c00824
[2023] Association between immune checkpoint inhibitor‐induced myocarditis and concomitant use of thiazide diuretics
DOI: https://doi.org/10.1002/ijc.34616
[2023] TEAD1 trapping by the Q353R–Lamin A/C causes dilated cardiomyopathy
DOI: https://doi.org/10.1126/sciadv.ade7047
[2023] A trial of topiramate for patients with hereditary spinocerebellar ataxia
DOI: https://doi.org/10.1002/ccr3.6980
[2023] Estimation of disease preventive drugs and the mode-of-action using clinical big data
DOI: https://doi.org/10.1254/jpssuppl.97.0_2-b-p-077
[2022] Differential effects of proton pump inhibitors and vonoprazan on vascular endothelial growth factor expression in cancer cells
DOI: https://doi.org/10.1002/ddr.22013
[2022] Small compound-based direct cell conversion with combinatorial optimization of pathway regulations
DOI: https://doi.org/10.1093/bioinformatics/btac475
[2022] Transformer-based Objective-reinforced Generative Adversarial Network to Generate Desired Molecules
DOI: https://doi.org/10.24963/ijcai.2022/539
[2022] From drug repositioning to target repositioning: prediction of therapeutic targets using genetically perturbed transcriptomic signatures
DOI: https://doi.org/10.1093/bioinformatics/btac240
[2022] TRANSDIRE: data-driven direct reprogramming by a pioneer factor-guided trans-omics approach
DOI: https://doi.org/10.1093/bioinformatics/btac209
[2022] A Web Server for GPCR-GPCR Interaction Pair Prediction
DOI: https://doi.org/10.3389/fendo.2022.825195
[2022] Epigenetic landscape of drug responses revealed through large-scale ChIP-seq data analyses
DOI: https://doi.org/10.1186/s12859-022-04571-8
[2022] Scaffold-Retained Structure Generator to Exhaustively Create Molecules in an Arbitrary Chemical Space
DOI: https://doi.org/10.1021/acs.jcim.1c01130
[2022] Characterization of Immune Checkpoint Inhibitor–Induced Myasthenia Gravis Using the US Food and Drug Administration Adverse Event Reporting System
DOI: https://doi.org/10.1002/jcph.2187
[2022] Pathway trajectory analysis with tensor imputation reveals drug-induced single-cell transcriptomic landscape
DOI: https://doi.org/10.1038/s43588-022-00352-8
[2022] Regulome-based characterization of drug activity across the human diseasome
DOI: https://doi.org/10.1038/s41540-022-00255-4
[2021] Construction of biologically-interpretable chemical–disease association focused on transcription factors organizing chemically-perturbed genes
DOI: https://doi.org/10.1254/jpssuppl.94.0_1-y-e3-4
[2021] Data-driven drug discovery by machine learning
[2021] Prediction of single-cell mechanisms for disease progression in hypertrophic remodelling by a trans-omics approach
DOI: https://doi.org/10.1038/s41598-021-86821-y
[2021] The novel driver gene <i>ASAP2</i> is a potential druggable target in pancreatic cancer
DOI: https://doi.org/10.1111/cas.14858
[2021] Plasma amino acids in patients with essential tremor
DOI: https://doi.org/10.1002/ccr3.4580
[2021] TRIOMPHE: Transcriptome-Based Inference and Generation of Molecules with Desired Phenotypes by Machine Learning
DOI: https://doi.org/10.1021/acs.jcim.1c00967
[2021] Lean-Docking: Exploiting Ligands’ Predicted Docking Scores to Accelerate Molecular Docking
DOI: https://doi.org/10.1021/acs.jcim.0c01452

科研費（0 件）

まだデータがありません（KAKEN 取り込み後に表示）。

所属学会・役職（0 件）

まだデータがありません（学会データ連携後に表示）。

AI 要約（直近 5 年の研究成果）

外部リンク

関連研究室(8 件)

研究成果（57 件）

科研費（0 件）

所属学会・役職（0 件）