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Yu, C.

Publications and source records attributed to Yu, C..

At least 37 records · Page 2Linked to original sources

Visualization of the architecture of flexible chromatin and the binding of chromatin regulators

Chromatin organization plays a central role in regulating genome accessibility and gene expression in eukaryotic cells. However, the inherent flexibility and structural heterogeneity of chromatin pose significant challenges for its structure determination. Here, we use a Nuc-back strategy with cryo-electron tomography (cryo-ET) and subtomogram averaging methods to visualize chromatin at the nucleosome level by averaging nucleosome at moderate-to-high resolution, classifying the fundamental unit of chromatin, i.e., nucleosome, into distinct classes, and linking different nucleosome structures to chromatin architecture. We reveal that nucleosome heterogeneity is a key factor in chromatin flexibility which disrupts interactions between nucleosomes. In addition, this strategy allows for the localization and visualization of chromatin regulators and their structure on chromatin. These results provide a foundation for future research in 3D genome and epigenetic process visualization. Graphical Abstract O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=82 SRC="FIGDIR/small/730377v1_ufig1.gif" ALT="Figure 1"> View larger version (23K): org.highwire.dtl.DTLVardef@1b003c8org.highwire.dtl.DTLVardef@c86543org.highwire.dtl.DTLVardef@7033f5org.highwire.dtl.DTLVardef@635485_HPS_FORMAT_FIGEXP M_FIG C_FIG

molecular biology↗

Objective curriculum-guided design of multi-property proteins

Designing functional proteins that simultaneously possess multiple bio-chemical properties remains a significant challenge, as key protein properties, such as solubility, stability, binding affinity, and chemical resistance, are often interdependent or even conflicting. Current approaches typically attempt to jointly optimize multiple functional objectives in one shot, followed by extensive screening to identify rare feasible designs. Here, we introduce OCDesign, an objective curriculum-guided framework for multi-property protein design. OCDesign is based on the objective curriculum principle, i.e., the order in which objectives are introduced can shape the accessibility of functional solutions. In each design round of OCDesign, candidate sequences are generated in silico, assessed across multiple properties, selected based on Pareto-optimal trade-offs, and experimentally validated, with each experimental stage testing the role of the newly introduced objective within the curriculum. Using antibody-binding protein A as a model system, we show that one-shot optimization fails to yield functional designs, whereas a staged curriculum--progressing from solubility and structural consistency to binding affinity, and then to alkaline resistance--enables the design of proteins possessing multiple desired properties through substantially fewer wet-lab experiments. These results establish OCDesign as a practical computational-experimental strategy for organizing and integrating multiple objectives in protein design, and suggest that objective ordering is a key determinant of accessibility in high-dimensional design spaces.

bioengineering↗

Thalamus-derived glutamate is required for early specification of layer 4 neurons in the sensory cortex

Elucidating the mechanisms that control the formation of the mammalian neocortex is crucial for understanding brain functions. Synaptic activity of thalamocortical axons (TCAs), mediated by glutamate, exerts a major extrinsic influence on the maturation of their target layer 4 neurons in postnatal primary sensory cortex. However, TCAs reach the sensory cortex during mid-embryonic stages in mice, when neurons of future superficial layers, including layer 4, are still being generated from radial glia (RGs) or intermediate progenitor cells (IPCs), well before the formation of direct synapses. We previously showed that TCAs are required for the production and specification of the proper number of layer 4 neurons in sensory areas, and that part of these area-specific roles is played by the thalamus-derived molecule VGF. However, the role of TCA-derived glutamate prior to synapse formation has remained unclear. In this study, we used mutant mice lacking vGluT2, a vesicular glutamate transporter expressed in the embryonic thalamus, and found that vesicular release of thalamus-derived glutamate is required for the proper production and specification of layer 4 neurons in the sensory cortex by the neonatal stage, through mechanism distinct from those involving VGF. Our findings reveal that multiple molecular cues produced by incoming TCAs play distinct roles in the production and specification of layer 4 neurons in the sensory cortex.

neuroscience↗

Substrate and target selectivity of 4'-fluoroadenosine against viral and host polymerases

Developing safe and effective treatments against emerging RNA viruses is an important goal in pandemic preparedness efforts. 4'-fluorouridine (4'-FlU) is a broad-spectrum antiviral that was shown to inhibit viral RNA-dependent RNA polymerases (RdRps). Given its notable range of antiviral activity, this class of nucleoside analogs warrants further investigation. Here, we studied the antiviral activity and underlying mechanism of inhibition of 4'-fluoroadenosine (4'-FlA). Like 4'-FlU, 4'-FlA demonstrates a broad-spectrum of antiviral activity against eight prototypic viruses representing diverse families. Enzyme kinetics show that the triphosphate (4'-FlA-TP) is efficiently incorporated by viral RdRps. A cryo-EM structure of RdRp of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in complex with double-stranded RNA and the incorporated monophosphate (4'-FlA-MP) characterizes interactions at the active site. The incorporated analog elicits heterogeneous inhibition patterns in primer extension reactions. In contrast, templates with embedded 4'-FlA-MP inhibit incorporation of complementary UTP across the viral RdRps. However, incorporation of 4'-FIA-TP is not limited to viral polymerases and likewise includes human mitochondrial RNA polymerase. These results demonstrate the general potential for 4'-fluorinated nucleotides as antiviral drugs and guide the development of more selective derivatives for medical use in appropriate settings.

microbiology↗

Reduction of Weight Gain by Modulating Mitochondrial Energy Coupling Efficiency Using a Bromo-Coenzyme Q10 analog (6-Br-Q0C10)

Synthetic 6-Br-Q0C10 has been shown to have a partial electron transfer activity of native coenzyme Q in the isolated mitochondria. It reduces energy coupling efficiency by 30 %, suggesting that it may be useful in the management of obesity. The effect of 6-Br-Q0C10 on cell growth has been confirmed by several cell lines. Whether or not it behaves in the same way in the animal, however, has not yet been tested. Recently, we investigated the effect of 6-Br-Q0C10 on growth of rats. When 6-Br-Q0C10 was dissolved in different media, such as carboxymethyl cellulose, ethanol, and mixture of oil and butter and then feed to rats It shows no toxicity and little negative effects on growth as measured body weight gains over a period of time. When higher concentration (0.5 mg) of 6-Br-Q0C10 was given to each rat in 0.3 mL of oil/butter (70%/30%) mixture via intragastric injection daily for a period, a significant reduction in body weight gains was observed. These results validate the earlier observation that 6-Br-Q0C10 reduces the growth (30-60%) of all cell lines tested, in a time- and concentration dependent manner. These results strengthen the idea of using 6-Br-Q0C10 to manage obesity. It is also implying that 6-BrQ0C10 may slow the growth rate of cancer cells and thus prolong life. (This study was partially funded by NIH grants AA030221 and DA046258 to S.L.Chang.)

biochemistry↗

Nuclear DNA Damage Response Triggers Reorganization of Mitochondrial Nucleic Acids

Mitochondria are subcellular organelles responsible for energy production, and a hub for several cellular signaling pathways that ultimately control cellular processes ranging from cell death to innate immunity. Genotoxic stress, including cellular irradiation, has been shown to cause the mitochondrial-dependent activation of innate immunity via release of mitochondrial nucleic acids in the cytosol. Yet, how the other cellular events triggered by genotoxic stress affects mitochondria and mitochondrial immunity is largely unexplored. Nuclear DNA damage responses (DDR) are a set of well-described responses to genotoxic stressors that allow the cells to, through characterized mechanisms including transcriptional responses and checkpoint activation, survive or die. Whether canonical DDR directly influence mitochondrial structure and activation of downstream pathways of immunity remains unclear. Here, we identify mito-blobs: enlarged TOMM20-positive mitochondrial structures induced by genotoxic stress that are enriched for TFAM-marked mitochondrial DNA nucleoids, FASTKD2-positive mitochondrial RNA granules, and immunogenic double-stranded RNA. While structurally resembling other mitochondria stress responsive rearrangements, mito-blobs carry the distinctive feature of being induced by nuclear DNA double-stranded breaks alone. Strikingly, mitochondrial double-stranded breaks failed to induce mito-blobs, indicating nuclear-to-mitochondrial signaling rather than an autonomous response to mitochondrial genome damage. Mechanistically, we show that mito-blobs formation strictly requires MFN1/2- and OPA1-dependent fusion machinery, while nuclear DNA damage invokes a classical ATM-p53 response, which lead to cell cycle block in the G1 phase that reduce DRP1 S616 phosphorylation and shifting mitochondrial morphology toward a low-fission pro-fusion state. Strikingly, the use of the standard of care CDK4/6 inhibitor palbociclib, was sufficient to trigger mito-blobs without nuclear DNA damage. Considering the mito-blobs high content in nucleic acids, we additionally investigated if affecting their life cycle could perturb inflammatory and interferon-associated gene expression downstream of genotoxic stress. We describe how autophagic-lysosomal clearance triggered upon cell cycle block limited mito-blob persistence, and blocking autophagy disposal unmasked a strong inflammatory response. Taken together, these findings suggest mito-blobs are the product of an active mitochondrial remodeling process elicited in response to nuclear genotoxic stress and that concentrate immunogenic mitochondrial nucleic acids in defined structures for their correct disposal via autophagy and avoid aberrant activation of innate immunity. HighlightsO_LIGenotoxic stress induces enlarged mitochondrial structures called mito-blobs. C_LIO_LIMito-blobs concentrate mitochondrial DNA, RNA granules, and double-stranded RNA. C_LIO_LINuclear DNA damage, but not mitochondrial, is sufficient to induce mito-blobs. C_LIO_LICDK4 Inhibitors Trigger Mito-blob Formation. C_LIO_LIMito-blob formation and clearance alter inflammatory gene expression. C_LI eTOC blurbYu et al. identify mito-blobs as enlarged mitochondrial structures that form after genotoxic stress. They show that nuclear DNA breaks - as opposed to mitochondrial DNA breaks - trigger mito-blob formation through nuclear-to-mitochondrial signaling involving altered DRP1 phosphorylation and mitochondrial fusion machinery. Mito-blob persistence is limited by autophagic clearance and is associated with inflammatory and interferon-associated gene expression after stress.

cell biology↗

Mutations Causative of CPEO Differentially Engage Innate Immunity Sensors

Chronic Progressive External Ophthalmoplegia (CPEO) is a primary mitochondrial disorder (PMD) caused by mutations in nuclear genes encoding mitochondrial DNA (mtDNA) maintenance proteins. CPEO is characterized by mtDNA depletion and deletions, and patients primarily present with ocular and muscular features (isolated CPEO). However, additional encephalomyopathy, neurological complications, and Parkinsonism can drive a more severe disease form, CPEO-plus. The evolution from isolated CPEO to CPEO-plus remains poorly understood. Inflammatory and innate immune processes are emerging as strong disease modifiers and may underlie this heterogeneity. Instability of mitochondrial DNA is a major driver of organellar stress and release of mitochondrial contents into the cytosol. Mutations in several genes involved in mtDNA replication and maintenance have been implicated in triggering the escape of mitochondrial nucleic acids from the mitochondrial matrix. Once exposed to cytosolic innate immune sensors, mtDNA and mitochondrial double-stranded RNA (mt-dsRNA) act as potent immunogens, with more than 10 innate immune sensors capable of recognizing them. Therefore, mtDNA and mt-dsRNA release are likely pathological mechanisms in CPEO, yet the list of CPEO-related genes that can trigger inflammatory processes is far from complete. Here, we use patient-derived fibroblasts from individuals with CPEO carrying mutations in RNASEH1 and Twinkle, and provide - for the first time - evidence that their mutations drive innate immune activation through the release of different mitochondrial nucleic acids. RNASEH1 mutations lead to the accumulation and subsequent release of mt-dsRNA, while mtDNA remains protected. On the other hand, mutations in Twinkle cause the release of mtDNA without triggering mt-dsRNA production, or leakage. Supporting this notion, the POLRMT inhibitor IMT-1, and the STING inhibitor H-151, reduced interferon stimulated genes expression downstream of RNASEH1 and Twinkle mutations, respectively. Further, when we analyzed a unique compound patient line carrying mutations in both genes simultaneously, we detect both species of nucleic acids in its cytosol, indicating that both pathways can be engaged simultaneously in the same cell. Lastly, we show that cytosolic sensing triggers paracrine signaling to activate bystander microglia - the resident macrophages of the retina and brain - with potential implications to the neurological progression of CPEO. Overall, our findings reveal a new role for RNASEH1 and Twinkle in driving aberrant innate immunity and paracrine inflammation in CPEO. Our data support a model in which innate immunity is a universal feature of mutations causing mtDNA instability; yet different mutations engage distinct sensing pathways, and in complex scenarios multiple pathways can be triggered at the same time. Given the clinical heterogeneity observed in patients with PMDs, our findings that different signaling pathways are triggered in patient-specific manners might have direct implications for precision medicine approaches aimed at targeting specific innate immunity.

cell biology↗

Extending structural surfaceomics to identify aberrant conformations of tumor surface proteins as potential immunotherapy targets

The complement of tumor cell surface proteins, or "surfaceome", is a rich source of potential immunotherapy targets. To move beyond expression-based target discovery, we previously described "structural surfaceomics," combining crosslinking mass spectrometry (XL-MS) with surface protein biotinylation to identify conformation-selective targets. In our prior work, we applied this method to a single model of acute myeloid leukemia (AML), identifying active integrin beta-2 as a promising target. Here, we expand structural surfaceomics to identify additional immunotherapy targets and surface protein biology across additional models of AML, multiple myeloma, and prostate cancer, as well as donor peripheral blood mononuclear cells. Utilizing these models and different chemical crosslinkers, we compile an extensive database of 5,209 crosslinks. We characterize both shared and unique crosslink-based features, identifying 1,612 disease model-specific crosslinks, including 212 potentially defining tumor-specific conformations based on distance constraint violations relative to AlphaFold predictions. We further implement a suite of emerging modeling tools to predict tumor-specific protein structures. We probe crosslinking patterns suggesting multiple myeloma-specific CD48 and AML-specific integrin 1/{beta}4 heterodimer conformations. This work establishes a resource for cancer structural biology by implementation of structural surfaceomics. Our findings also point toward more realistic protein design models, potentially enabling systematic detection of targetable cancer-specific epitopes for next-generation immunotherapies.

cancer biology↗

REPLAY: A reproducible and user-friendly application for DNA replication timing analysis from Repli-seq data

BackgroundDNA replication timing (RT) is a fundamental feature of genome organization that is regulated in a cell-type-specific manner and frequently altered in disease. Repli-seq is the standard approach for genome-wide RT profiling; however, its analysis typically requires multiple independent tools and custom scripts, limiting reproducibility, portability, and accessibility, particularly for users without computational expertise. In addition, existing workflows often lack standardization and require substantial user intervention. ResultsWe developed REPLAY, a fully automated, reproducible, and user-friendly application for replication timing analysis. REPLAY is distributed as a standalone executable that enables end-to-end processing from compressed FASTQ files to genome-wide RT profiles without requiring software installation or programming experience. Through an intuitive graphical interface, users can configure analysis parameters, including input and output directories, reference genome, normalization strategy (quantile, median, or interquartile range), and smoothing. The application integrates all processing steps--quality control, trimming, alignment, binning, RT log2 calculation, normalization, smoothing, and visualization-- within a single automated workflow. Application of REPLAY to publicly available datasets demonstrate accurate reconstruction of RT profiles and high reproducibility across samples. ConclusionsREPLAY offers a portable, reproducible, and accessible solution for the analysis of RT data. By eliminating the need for command-line tools and complex installations, it lowers the entry barrier enabling standardized analysis across diverse research settings.

genomics↗

Sex stratified analyses enable new genetic insights into brain imaging phenotypes

Sex differences are commonly observed in neuroimaging phenotypes and in the risk of brain diseases, yet the underlying genetic mechanisms remain poorly understood. We investigated sex differences in the genetic architecture of 805 neuroimaging phenotypes in 22,950 males and 22,950 females matched for sample size and covariates, and systematically compared sex-stratified with sex-combined genetic analyses. We found eight variant-trait associations with significant sex differences, 235 fine-mapped sex-dominant causal associations, 457 sex-dominant colocalizations with sex hormones, and 96 sex-dominant colocalizations with schizophrenia. Compared with sex-combined analysis, sex-stratified analysis identified 47 new genetic associations, 170 new fine-mapped causal associations, 1,019 new colocalizations with sex hormones, and 191 new colocalizations with schizophrenia. Additionally, sex-stratified analysis improved global heritability and genetic-correlation estimates and enhanced polygenic prediction for certain phenotypes. This work highlights the need to routinely perform sex-stratified genetic association analyses to elucidate sex-specific and sex-shared genetic control of neuroimaging phenotypes and related disorders.

genetics↗

CellBench-LS: Benchmark Evaluation of Single-cell Foundation Models for Low-supervision Scenarios

Single-cell foundation models are trained on millions of cells, but their value when downstream labels are scarce remains uncertain. Here we compare seven such models with three established representations across clustering, batch correction, cell type annotation, gene expression reconstruction and perturbation prediction. Frozen representations are tested directly for clustering and batch correction and with lightweight task heads for few-shot prediction. CellPLM led the aggregate clustering, annotation and batch-correction comparisons, scMulan led perturbation prediction, and principal component analysis led reconstruction. Of the seven foundation models, one exceeded the strongest classical baseline in clustering, three in batch correction, four in annotation, none in reconstruction and six in perturbation prediction. Representation analyses linked reconstruction performance to preservation of linear gene relationships, but cross-model gene-relation agreement did not exceed a dimension-matched random-projection null. These results show that the utility of a cell representation depends on the information required by the downstream task.

cell biology↗

Sustained Relief of Chronic Pain via a Nav1.7_Targeting ASO_siRNA Conjugate

Chronic pain affects billions globally, yet safe, long-lasting, and non-addictive analgesics remain lacking. Nav1.7 is a genetically validated pain target, but traditional small molecules have repeatedly failed. Therapeutic oligonucleotides-antisense oligonucleotides (ASOs) and siRNAs-offer selective, durable silencing. We developed N02C0702, an ASO-siRNA conjugate (ASC), achieving robust Nav1.7 knockdown and sustained analgesia without additional delivery vehicles. N02C0702 outperformed individual ASO (N02A114) and siRNA (N02S154) moieties at mRNA and protein levels and in pain relief. In CFA-induced inflammatory pain, a single intrathecal dose exceeded naproxen and suzetrigine, while in SNL neuropathic pain, efficacy persisted up to 56 days, comparable to or surpassing pregabalin. Genome-wide RNA sequencing confirmed minimal off-target effects. N02C0702 highlights Nav1.7 as a key analgesic target and demonstrates the ASC platforms potential for chronic pain and other CNS-related pathologies, offering durable, selective, and safe therapeutic effects.

neuroscience↗

Sampling protein structural token space enables accurate prediction of multiple conformations

Protein function is fundamentally mediated by ensembles of distinct metastable states. However, existing methods, such as AlphaFold 3, typically exhibit a bias toward predicting a single dominant state, failing to capture alternative conformations or provide robust metrics for identifying high-quality multi-state conformations. Here, we present MultiStateFold (MSFold), a framework that integrates Parallel Tempering into the discrete structure token space of the ESM3 protein language model. By conceptualizing the model's latent space as an implicit energy landscape, MSFold enables global exploration and barrier crossing, thereby overcoming the local sampling limitations inherent in base generative models. Across a benchmark of 313 multi-conformation pairs, MSFold sets a new performance standard: it achieves the highest success rate in modeling native states and substantially outperforms leading methods, including AlphaFold 3, on challenging alternative conformations, while maintaining competitive accuracy for primary structures. Furthermore, we propose Sequence Log-Likelihood (SLL), a novel confidence metric derived from sequence-structure consistency. Our results demonstrate that SLL offers a modest improvement over standard metrics such as pTM and pLDDT. This work establishes a new paradigm for conformational sampling, bridging classical statistical physics with protein language models.

bioinformatics↗

Effects of the Coenzyme Q10 Analog 6-Bromo-ubiquinone (6-Br-Q0C10) on Mammalian Cell Growth

Synthetic 6-Br-Q0C10 has been shown to exhibit a partial electron transfer activity of native coenzyme Q in the isolated mitochondria. It reduces energy coupling efficiency by approximately 30%, suggesting that it may be useful in modulating cell growth in tissue culture. Whether or not it behaves in the same way in the whole cells, or animal, however, has not yet been fully examined. Recently we have investigated the effect of 6-Br-Q0C10 across multiple cell lines using three detection methods. Treatment with 6-Br-Q0C10 reduces cell proliferation in all cell lines tested, with different effectiveness. Obesity-related cell lines were the most susceptible, and a pronounced inhibitory effect was also observed in cancer cell lines. These results strengthen the idea of using 6-Br-Q0C10 to manage obesity or to retard the growth of rate cancer cells and thus prolonging life.

biochemistry↗

Convergence on BRAF and MAPK Signaling in Glioma Development in a P53-ENU model

Pediatric high-grade gliomas (HGGs) are aggressive and lethal brain tumors that account for 15- 20% of all pediatric central nervous system (CNS) malignancies and remain largely incurable. These tumors, despite having mutational targets that activate MAPK signaling, are frequently resistant to targeted therapies in their malignant states, but often show responses when they are in lower grade form. These findings suggest a need to identify and intercept early tumorigenic events that arise in earlier tumor developmental stages. To investigate the molecular events in glioma progression, we developed and characterized a NestinCre/+;Trp53fl/fl mouse model combined with in utero exposure to the classic chemical mutagen N-ethyl-N-nitrosourea (ENU). This model mimics the context of genetic predisposition paired with an environmental genotoxic insult, and mice with loss of TRP53 in early neural precursors who are exposed to ENU at embryonic day 13.5 reproducibly develop HGGs postnatally that retain features of the human tumors. By sampling discrete lesions at premalignant, early, and late stages, we observed progressive increases in genetic complexity, stemness features, and immune signatures across tumor evolution. Notably, a recurrent Braf mutation emerged in a majority of early lesions and persisted in advanced tumors, consistent with the occurrence of BRAFV600E mutations in human gliomas that arise in children and undergo transition from lower grade to higher grade stages. Additional components of the RAS-RAF-MAPK signaling cascade, including Kras, Nras and Nf1 were found to be mutated at the late tumor stage, indicating convergent activation of this pathway in this model. Cell lines derived from early lesions responded to BRAF inhibitors, but cells from endpoint tumors were less responsive. Together, this model reveals aspects of the molecular and cellular evolution of glioma development in vivo, and identifies RAS-MAPK signaling as a critical molecular bottleneck selected for the ENU-induced mutations. This genetic-environmental model may be valuable to understanding key determinants of glioma initiation and progression, and for evaluating new therapies that limit MAPK signaling.

cancer biology↗

Lysosomal Aspartylglucosaminidase Couples Glycoprotein Catabolism to Cell-Surface GlycoRNA Production

GlycoRNAs, small non-coding RNAs covalently linked to N-glycans, reveal an unexpected intersection between RNA biology and glycosylation, with potential roles in immunity and cell-cell communication. The origins and biogenesis of their glycans remain unclear. Using CRISPR-Cas9 screening, metabolic glycan labeling and lysosome-targeted proteomics, we reconfirm canonical N-glycosylation enzymes (STT3A/B) and identify components of the mannose-6-phosphate (M6P) lysosomal sorting pathway (GNPTAB, M6PR) as essential contributors. Strikingly, lysosomal aspartylglucosaminidase (AGA) acts as a rate-limiting regulator, linking glycoprotein catabolism to glycoRNA formation. Loss of AGA collapses both abundance and diversity of RNA-linked N-glycans, while pulse-chase tracing shows glycoprotein-derived glycans are repurposed for RNA glycosylation. These findings position lysosomes as active participants in RNA modification and redefine glycoRNA biogenesis as a metabolically integrated process.

cell biology↗

Subchondral H-type Blood Vessel Formation Aggravates Articular Cartilage Degeneration through LEP-LEPR Axis

BackgroundOsteoarthritis (OA) is a chronic degenerative joint disease characterized by cartilage deterioration that has resulted in severe physical and economic costs for society. Risk factors for osteoarthritis encompass genetic predisposition, mechanical influences, obesity, inflammation, and metabolic problems. Recent reports indicate that the morphological alterations of subchondral bone evolve dynamically with the advancement of osteoarthritis. A significant alteration in subchondral bone is the development of aberrant blood vessels, particularly H-type vessels. H-type arteries are essential for preserving subchondral bone homeostasis. They support nutrients and oxygen to bone tissue and eliminate waste, thereby supporting the metabolic activities of osteoblasts and osteoclasts. However, the upstream factors governing H-type arteries are yet unknown. MethodsThe whole transcriptome analysis was performed by informatics which is further verified in clinical samples. Using LEP and LEPR knockout mice, the correlation between abnormal subchondral bone metabolism and LEP, LEPR, and H-type vessel formation were uncovered. ConclusionsThis study reveals that the lipid metabolism pathway was highly enriched on the OA lesion, and LEP and LEPR were markedly underexpressed in the subchondral bone on the side with severe OA lesions. The causal relationship of the LEP-LEPR-CD31 signalling pathway in aging and osteoarthritis models is revealed at the overall and molecular levels. This project will provide a new theoretical basis for the pathogenesis of early OA and new ideas and targets for the clinical treatment of OA by exploring the LEP-LEPR-CD31 signalling in osteoarthritis.

pathology↗

Predicting TCR-pMHC Binding by Reinforcement Learning

The binding between T cell receptors (TCRs) and peptide-major histocompat-ibility complexes (pMHCs) is fundamental to the immune systems ability to recognize and eliminate pathogens. Accurate prediction of TCR-pMHC inter-actions holds significant promise for advancing cancer immunotherapy, vaccine design, and autoimmune disease research. However, existing approaches often treat the sequences, structures, and functions of TCRs, peptides, and MHC molecules in isolation, neglecting their interdependencies and hence limiting the prediction accuracy. In this study, we present ProTCR, a novel approach that integrates sequence, structural, and functional information within a reinforce-ment learning framework, offering a new paradigm for predicting TCR-pMHC binding. The reinforcement learning optimization enables ProTCR to generate TCR-pMHC sequences with enhanced binding propensity, thereby improving prediction accuracy. On benchmark datasets such as IEDB and VDJdb, ProTCR achieves an AUROC of 0.75, outperforming state-of-the-art methods by 32.7%, while offering interpretable insights into the structural and sequence determi-nants of binding. We further validate ProTCR using TCRs and neoantigens derived from a cervical cancer patient via proteogenomic profiling. Our analysis reveals a strong correlation between T cell clonal expansion and ProTCR-predicted TCR-peptide binding scores, supporting the biological relevance of the model. Additionally, ProTCR demonstrates robust performance in predict-ing SARS-CoV-2 TCR-pMHC complexes and generating MHC-specific peptides with potential applications in peptide-based immunotherapies. Collectively, these findings establish ProTCR as a powerful and interpretable tool for TCR-pMHC binding prediction, with broad utility across immunology research and translational applications.

bioinformatics↗