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Deep learning-based denoising for unbiased analysis of morphology and stiffness in amyloid fibrils

Computers in Biology and Medicine 2025年 184卷 109410-109410页

作者： Park, Jaehee Cheong, Da Yeon Lee, Gyudo Han, Cheol E. Department of Electronics and Information Engineering Korea University Sejong30019 Korea Republic of Interdisciplinary Graduate Program for Artificial Intelligence Smart Convergence Technology Korea University Sejong30019 Korea Republic of Department of Biotechnology and Bioinformatics Korea University Sejong30019 Korea Republic of

Understanding the morphology of amyloid fibrils is crucial for comprehending the aggregation and degradation mechanisms of abnormal proteins implicated in various diseases, such as Alzheimer's disease, Parkinson's disease, type II diabetes, and various forms of amyloidosis. Atomic force microscopy (AFM) stands as the most representative method for studying amyloid fibril morphology. However, obstacles in AFM images, including noise, salt, and amorphous aggregates, often impede accurate sample quantification. In this study, we developed denoising software employing a U-Net deep learning architecture to address this issue. The software efficiently eliminated various impediments that interfere with fibril analysis in noisy AFM images, thereby facilitating precise quantification of amyloid fibrils. We also developed automated fibril analysis technologies using the denoised AFM images, leading to quicker, more precise, and more objective assessments of fibril morphology. Furthermore, we presented a method for fibril stiffness extraction from a modulus image through mask creation based on a denoised height image. Our approach secures time efficiency and precision in analyzing amyloid morphology, and we believe it will significantly advance the currently stagnant research on amyloid-related diseases. © 2024 The Authors

关键词： Neurodegenerative diseases

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Pseudomonas aeruginosa-derived DnaJ induces TLR2 expression through TLR10-mediated activation of the PI3K-SGK1 pathway in macrophages

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Microbes and Infection 2025年 105481页

作者： Lee, Jaehoo Jin, Yongxin Wu, Weihui Lee, Yeji Ha, Un-Hwan Department of Biotechnology and Bioinformatics Korea University Sejong 30019 South Korea Interdisciplinary Graduate Program for Artificial Intelligence Smart Convergence Technology Korea University Sejong 30019 South Korea State Key Laboratory of Medicinal Chemical Biology Key Laboratory of Molecular Microbiology and Technology of the Ministry of Education Department of Microbiology Nankai University Tianjin 300071 China

TLR2 is a key component of the innate immune system, responsible for recognizing Gram-positive bacterial components and initiating inflammatory signaling cascades that activate defense responses. However, little is known about the regulatory effects of Pseudomonas aeruginosa (P. aeruginosa) on TLR2 expression. In this study, we investigated the potential link between P. aeruginosa-derived DnaJ and TLR2 expression in macrophages, as well as the activation of downstream signaling pathways. Our findings revealed that DnaJ significantly induced TLR2 expression in a dose- and time-dependent manner, predominantly affecting TLR2 with minimal impact on other TLRs, such as TLR4 and TLR5, which detect bacterial PAMPs. The DnaJ-mediated TLR2 induction was driven by activation of the PI3K-SGK1 signaling pathway, with TLR10 playing a crucial role in facilitating these effects. This increase in TLR2 expression led to enhanced production of inflammatory cytokines in response to secondary Staphylococcus aureus infections, indicating a role in boosting host defense mechanisms. In conclusion, these findings suggest that P. aeruginosa-derived DnaJ promotes TLR2 expression via TLR10-mediated activation of the PI3K-SGK1 pathway, thereby enhancing host immune responses against Gram-positive bacterial infections. © 2025 Institut Pasteur

关键词： DnaJ Pseudomonas aeruginosa SGK1 TLR10 TLR2

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Analysis of protein determinants of genotype-specific properties of group a rotaviruses using machine learning

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Computers in Biology and Medicine 2025年 191卷 110143-110143页

作者： Cho, Myeongji Been, Nara Son, Hyeon S. Laboratory of Computational Virology & Viroinformatics of Public Health Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Public Health AI Lab of Public Health Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Institute of Health and Environment Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Interdisciplinary Graduate Program in Bioinformatics College of Natural Science Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of

Group A rotaviruses (RVAs) are the leading cause of viral diarrhoea across various host species, including mammals and birds. The VP7 and VP4 proteins of these viruses play critical roles in determining genotype specificity, influencing viral infectivity and host adaptation. This study employed machine-learning techniques to classify RVA genotypes based on the molecular and physicochemical properties of these proteins. A dataset of 94 VP7 and 68 VP4 protein sequences was collected from various host species. Seven machine-learning algorithms—Naïve Bayes (NB), logistic regression (LR), decision tree (DT), random forest (RF), k-nearest neighbour (kNN), support vector machine (SVM), and artificial neural network (ANN)—were used for genotype classification. Feature subsets were configured using ranking-based attribute selection, and classification performance was evaluated using accuracy (ACC), precision, recall, Matthews’ correlation coefficient (MCC), and the area under the curve (AUC). kNN demonstrated the highest classification accuracy for both VP7 (ACC = 97.87 %) and VP4 (ACC = 100 %), outperforming NB, LR, DT, RF, SVM, and ANN. For VP7 sequences, key properties influencing genotype classification included hydrophobicity, normalised van der Waals volume, and leucine composition. For VP4, polarity, normalised van der Waals volume, and polarizability were the most significant factors. In summary, the genotype-specific molecular features of VP7 and VP4 proteins served as reliable markers for RVA classification. Our findings highlight the potential of machine-learning approaches to predict RVA genotypes based on the physicochemical properties of amino acids, providing valuable insights into the molecular mechanisms that drive viral evolution, host specificity, and immune evasion. © 2025 Elsevier Ltd

关键词： Adversarial machine learning

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Biomedical data and AI

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Science China Life Sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

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Diversity and Evolution of RNA Recognition Motifs: A Case Study on the Utility of RdRp in the phylum Duplornaviricota

Diversity and Evolution of RNA Recognition Motifs: A Case St...

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2023 IEEE International Conference on bioinformatics and Biomedicine, BIBM 2023

作者： Je, Mikyung Cho, Myeongji Son, Hyeon S. Seoul National University Interdisciplinary Graduate Program in Bioinformatics College of Natural Science Seoul Korea Republic of Seoul National University Lab. of Computational Biology & Bioinformatics Graduate School of Public Health Seoul Korea Republic of Seoul National University Institute of Health and Environment Seoul Korea Republic of

ISBN: (纸本)9798350337488

Viruses possess specific conserved regions known as RNA recognition motifs, which are shared within taxonomic groups. Applying these to the Baltimore virus classification system, there are genes/proteins that serve as biomarkers for each of the seven groups. Mutations in conserved sequence regions can have a significant impact on the function of a virus, especially if these conserved regions are part of a major protein. In this study, we analyzed the RdRp gene, known to be a representative RRM of RNA viruses, from viruses of five families (Alternaviridae, Chrysoviridae, Totiviridae, Sedoreoviridae, and Spinareoviridae) within the phylum Duplornaviricota. Data were retrieved from the NCBI non-redundant (nr) database (https://***/protein) applying a cut-off of 300 amino acids in length. RdRp protein sequences were aligned using PROMALS3D, and PhyML (v3.0) was used for phylogenetic analysis. In the next step, we utilized the officially provided ICTV taxonomy and bioinformatics tools to assign the phylogenetic position of RdRp. Although this analysis focused solely on RdRp, it can be concluded that using this gene as a marker may be sufficient for taxonomic assignment. Subsequent analyses will target DNA viruses and RT viruses to perform a more comprehensive assessment. This extensive analysis aims to validate the usefulness of marker genes in the overall viral taxonomy. © 2023 IEEE.

关键词： classification marker gene RdRp RNA recognition motif taxonomy virus

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Peak analysis of cell-free RNA finds recurrently protected narrow regions with clinical potential

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Genome Biology 2025年第1期26.0卷 1-25页

作者： Bao, Pengfei Wang, Taiwei Liu, Xiaofan Xing, Shaozhen Ruan, Hanjin Ma, Hongli Tao, Yuhuan Zhan, Qing Belmonte-Reche, Efres Qin, Lizheng Han, Zhengxue Mao, Minghui Li, Mengtao Lu, Zhi John MOE Key Laboratory of Bioinformatics State Key Lab of Green Biomanufacturing Center for Synthetic and Systems Biology School of Life Sciences Tsinghua University Beijing 100084 China Institute for Precision Medicine Tsinghua University Beijing 100084 China Peking University–Tsinghua University–National Institute of Biological Sciences Joint Graduate Program School of Life Sciences Tsinghua University Beijing China Department of Rheumatology and Clinical Immunology Chinese Academy of Medical Sciences & Peking Union Medical College Beijing 100730 China National Clinical Research Center for Dermatologic and Immunologic Diseases (Ministry of Science & Technology) MOE Key Laboratory of Rheumatology and Clinical Immunology State Key Laboratory of Complex Severe and Rare Diseases Peking Union Medical College Hospital Beijing 100730 China Academy for Advanced Interdisciplinary Studies (AAIS)and Sciences Joint Graduate Program (PTN) Peking University Beijing China Department of Oral and Maxillofacial & Head and Neck Oncology Beijing Stomatological Hospital Capital Medical University Beijing China Centre for Genomics and Oncological Research (GENYO) Avenida de La Ilustración 114 Granada 18016 Spain Department of Biochemistry and Molecular Biology II Faculty of Pharmacy University of Granada Granada Spain Instituto de Investigación Biosanitaria Ibs.GRANADA Hospital Virgen de Las Nieves Granada Spain The Center for Regeneration Aging and Chronic Diseases School of Basic Medical Sciences Tsinghua University Beijing China

Background: Cell-free RNAs (cfRNAs) can be detected in biofluids and have emerged as valuable disease biomarkers. Accurate identification of the fragmented cfRNA signals, especially those originating from pathological cells, is crucial for understanding their biological functions and clinical value. However, many challenges still need to be addressed for their application, including developing specific analysis methods and translating cfRNA fragments with biological support into clinical applications. Results: We present cfPeak, a novel method combining statistics and machine learning models to detect the fragmented cfRNA signals effectively. When test in real and artificial cfRNA sequencing (cfRNA-seq) data, cfPeak shows an improved performance compared with other applicable methods. We reveal that narrow cfRNA peaks preferentially overlap with protein binding sites, vesicle-sorting sites, structural sites, and novel small non-coding RNAs (sncRNAs). When applied in clinical cohorts, cfPeak identified cfRNA peaks in patients’ plasma that enable cancer detection and are informative of cancer types and metastasis. Conclusions: Our study fills the gap in the current small cfRNA-seq analysis at fragment-scale and builds a bridge to the scientific discovery in cfRNA fragmentomics. We demonstrate the significance of finding low abundant tissue-derived signals in small cfRNA and prove the feasibility for application in liquid biopsy. © The Author(s) 2025.

关键词： Cell-free RNA CfRNA fragment Liquid biopsy biomarker Noninvasive cancer detection Peak calling SncRNA Tissue-of-origin

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Using a Recurrent Neural Network Model for Classification of Tweets Conveyed Influenza-related Information 1

Using a Recurrent Neural Network Model for Classification of...

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1st International Workshop on Digital Disease Detection using Social Media, DDDSM 2017, co-located with the 8th International Joint Conference on Natural Language Processing, IJCNLP 2017

作者： Wang, Chen-Kai Singh, Onkar Tang, Zhao-Li Dai, Hong-Jie Graduate Institute of Biomedical Informatics Taipei Medical University Taipei Taiwan Bioinformatics Program Taiwan International Graduate Program Institute of Information Science Academia Sinica Taipei Taiwan Institute of Biomedical Informatics National Yang-Ming University Taipei Taiwan Department of Computer Science and Information Engineering National Taitung University Taitung Taiwan Interdisciplinary Program of Green and Information Technology National Taitung University Taitung Taiwan

ISBN: (纸本)9781948087070

Traditional disease surveillance systems depend on outpatient reporting and virological test results released by hospitals. These data have valid and accurate information about emerging outbreaks but it's often not timely. In recent years the exponential growth of users getting connected to social media provides immense knowledge about epidemics by sharing related information. Social media can now flag more immediate concerns related to outbreaks in real time. In this paper we apply the long short-term memory recurrent neural network (RNN) architecture to classify tweets conveyed influenza-related information and compare its performance with baseline algorithms including support vector machine (SVM), decision tree, naive Bayes, simple logistics, and naive Bayes multinomial. The developed RNN model achieved an F-score of 0.845 on the MedWeb task test set, which outperforms the F-score of SVM without applying the synthetic minority oversampling technique by 0.08. The F-score of the RNN model is within 1% of the highest score achieved by SVM with oversampling technique. © 2017 AFNLP

关键词： Support vector machines

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A Drug-Induced Liver Injury Prediction Model using Transcriptional Response Data with Graph Neural Network

A Drug-Induced Liver Injury Prediction Model using Transcrip...

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International Conference on Big Data and Smart Computing (BIGCOMP)

作者： Doyeong Hwang Minji Jeon Jaewoo Kang Department of Computer Science and Engineering Korea University Seoul Republic of Korea Interdisciplinary Graduate Program in Bioinformatics Korea University Seoul Republic of Korea

ISBN: (数字)9781728160344

ISBN: (纸本)9781728160351

Drug-Induced Liver Injury (DILI) is a major cause of failed drug candidates in clinical trials and withdrawal of approved drugs from the market. Therefore, machine learning-based DILI prediction can be key in increasing the success rate of drug discovery because drug candidates that are predicted to potentially induce liver injury can be rejected before clinical trials. However, existing DILI prediction models mainly focus on the chemical structures of drugs. Since we cannot determine whether a drug will cause liver injury based solely on its structure, DILI prediction based on the transcriptional effect of a drug on a cell is necessary. In this paper, we propose GLIT which is a model that uses transcriptional response data and chemical structures and can be used for drug-induced liver injury prediction. GLIT learns the embedding vectors of drug structures and drug-induced gene expression profiles using graph attention networks in a biological knowledge graph for predicting DILI. GLIT outperformed a baseline model that uses only drug structure information by 7% and 19.2% in terms of correct classification rate (CCR) and Matthews correlation coefficient (MCC), respectively. In addition, we conducted a literature survey to confirm whether the class labels of drugs, in the unknown DILI class, predicted by GLIT are correct.

关键词： Drugs Gene expression Neural networks Injuries Liver Predictive models Biological system modeling

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Exploring the mutation tendency of a specific region in the virus taxonomic groups using data mining techniques

Exploring the mutation tendency of a specific region in the ...

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2022 IEEE International Conference on Big Data, Big Data 2022

作者： Je, Mikyung Cho, Myeongji Kim, Yoon Jung Son, Hyeon S. Seoul National University Interdisciplinary Graduate Program in Bioinformatics College of Natural Science Seoul Korea Republic of Honam National Institute of Biological Resources Division of Bio It Mokpo Korea Republic of Seoul National University Lab. of Computational Virology and Viroinformatics Graduate School of Public Health Seoul Korea Republic of Seoul National University Institute of Health and Environment Seoul Korea Republic of

ISBN: (纸本)9781665480451

The GDNQ motif is mainly found in nonsegmented (-)ssRNA viruses and plays a role in the catalytic and polymerase activity pathways. However, in some recently reported dsRNA mycoviruses, the GDNQ motif of the (-)ssRNA virus group is found instead of the GDD motif commonly found in the dsRNA virus group. Therefore, in this study, data mining techniques were used to explore the mutation tendency of a specific region in the virus taxonomic groups. Viral protein sequences were obtained from the NCBI Virus data repository, and the performance of several known string-searching algorithms (BF, KMP, and BM) was evaluated to establish an optimal strategy for extracting useful information from sequence big data. Then, the pattern-matching performance of the algorithm was tested to detect whether the conserved region sequence was a common motif type or a mutated motif type. As a result of the analysis, it was confirmed that the BF method produced the fastest results. However, the BM method recorded higher accuracy. Through the virus mutation tendency derived from the analysis results, it was confirmed that 7.1% of dsRNA viruses had a mutated motif type based on the total data analyzed and that it was relatively recent that ssRNA virus motif variants began to be discovered in dsRNA viruses. It is expected that additional in-depth analysis of the host range and infection route of viruses with the mutation will help understand the evolution of dsRNA and ssRNA mycoviruses. © 2022 IEEE.

关键词： Big data

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CollaboNet: Collaboration of deep neural networks for biomedical named entity recognition

arXiv

引用

arXiv 2018年

作者： Yoon, Wonjin So, Chan Ho Lee, Jinhyuk Kang, Jaewoo Department of Computer Science and Engineering Korea University Seoul02841 Korea Republic of Interdisciplinary Graduate Program in Bioinformatics Korea University Seoul02841 Korea Republic of

Background: Finding biomedical named entities is one of the most essential tasks in biomedical text mining. Recently, deep learning-based approaches have been applied to biomedical named entity recognition (BioNER) and showed promising results. However, as deep learning approaches need an abundant amount of training data, a lack of data can hinder performance. BioNER datasets are scarce resources and each dataset covers only a small subset of entity types. Furthermore, many bio entities are polysemous, which is one of the major obstacles in named entity recognition. Results: To address the lack of data and the entity type misclassification problem, we propose CollaboNet which utilizes a combination of multiple NER models. In CollaboNet, models trained on a different dataset are connected to each other so that a target model obtains information from other collaborator models to reduce false positives. Every model is an expert on their target entity type and takes turns serving as a target and a collaborator model during training time. The experimental results show that CollaboNet can be used to greatly reduce the number of false positives and misclassified entities including polysemous words. CollaboNet achieved state-of-the-art performance in terms of precision, recall and F1 score. Conclusions: We demonstrated the benefits of combining multiple models for BioNER. Our model has successfully reduced the number of misclassified entities and improved the performance by leveraging multiple datasets annotated for different entity types. Given the state-of-the-art performance of our model, we believe that CollaboNet can improve the accuracy of downstream biomedical text mining applications such as bio-entity relation extraction. Copyright © 2018, The Authors. All rights reserved.

关键词： Deep neural networks

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