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Biology subjects

Finley, S. D.

Publications and source records attributed to Finley, S. D..

At least 19 recordsLinked to original sources

Computational modeling of breast cancer metastases predicts response to dual checkpoint inhibition and reveals spatially-informed treatments

In advanced breast cancers, the highly suppressive tumor microenvironment contributes to poor responses to immune checkpoint inhibition. The degree of suppression varies by site of disease, which can affect metastatic progression. To investigate this phenomenon, we have developed an agent-based model of cell-cell interactions within the tumor microenvironment, specifically tuned to in vivo data from murine breast-to-lung metastases. The model includes nine functional cell types (cancer cells, M0-, M1-, and M2-like macrophages, CD4+ T cells, T regulatory cells [Tregs], CD8+ T cells, NK cells, and MDSC-like cells). We incorporated a novel continuum model to describe exhaustion of CD8+ T and NK cells, where their exhaustion is impacted by cell-cell interactions in the TME via direct and indirect interactions. We also modeled the effect of the immune checkpoint inhibitors (ICI) anti-PD-1 and anti-CTLA-4, termed "dual ICIs". We used this model to simulate the spatiotemporal trajectories of 19 metastases without treatment and with dual ICIs. The model predicted that dual ICIs lead to statistically significant reductions in cancer cell proliferation in seven of the metastases (37%), and spatial analyses of these metastases indicate they have structural similarities at multiple scales of tumor organization. Additionally, spatial analysis suggests that high colocalization of CD8+ T cells with Tregs could prevent dual ICIs from being effective, and simulation of Treg blockade combined with dual ICIs led to 15 total metastases having a statistically significant treatment effect (80% total). Thus, our model provides a highly resolved spatiotemporal platform for studying the cell-cell interactions that can drive resistance to ICIs in diverse TME settings and identifies potential therapeutic avenues to enhance the efficacy of emerging ICI therapies.

systems biology↗

Computational modeling of VEGF-A signaling predicts lymphatic junction state

Lymphatic endothelial cell (LEC) junctions switch between continuous zippers and discontinuous buttons to control fluid, cell and lipid uptake, but how the strength and timing of signaling set junction state is unknown. Here we present, to our knowledge, the first mechanistic signaling model calibrated to LEC data, linking VEGF-A-induced activation of VEGFR2 homodimers and VEGFR2/VEGFR3 heterodimers to the balance of active RAC1 and RhoA, summarized as a predicted zippering propensity. Calibrated to human dermal LEC time courses and validated against independent receptor knockdowns, the model predicts that VEGF-A dose primarily determines how long zippering-favoring signaling lasts following stimulation, and it identifies which of the parameters related to RAC1-RhoA kinetics control this duration. Using single-cell transcriptomes from high-fat-diet-fed mice, the model predicts that obesity shortens this response in mesenteric capillary and epididymal collector LECs but prolongs it in epididymal capillary LECs. Tuning RAC1-RhoA kinetics restores baseline in each population but requires opposite adjustments, suggesting that targeting this axis must be context-specific.

systems biology↗

Mechanistic Modeling of Intrinsic Drug Resistance in Prostate Cancer Apoptosis Signaling

Anticancer drug resistance is challenging to overcome because it can arise through both intrinsic and acquired mechanisms, each driven by distinct cellular machinery. In particular, there is a sharp need for therapies that target hormone-insensitive prostate tumors due to the growing incidence of castration-resistant prostate cancer. Optimizing the pathways that regulate apoptosis in prostate cancer offers a promising strategy to induce apoptosis and inhibit tumor progression, since these mechanisms do not depend on hormonal signaling. Here, we identified strategies to enhance apoptosis in prostate cancer cells. We used several computational tools (including sensitivity analysis, particle swarm optimization, and ImageJ) to design an ordinary differential equation model of caspase-mediated prostate cancer apoptosis signaling. We apply the model to identify key modalities that increase the propensity toward apoptosis across three separate pro-apoptotic drugs (Tocopheryloxybutyrate, Narciclasine, and Celecoxib). Overall, we demonstrate that apoptosis dynamics can be accurately captured in response to each of the three drugs and identify which features of the model represent viable targets for overcoming intrinsic drug resistance.

systems biology↗

Multi-scale network topology analysis reveals metabolic reprogramming and therapeutic vulnerabilities in the tumor microenvironment

The tumor microenvironment comprises diverse cell populations that coordinate metabolic activities to sustain malignant growth, yet the systems-level organization of these interactions remains poorly understood. Here, we present an integrated framework combining single-cell transcriptomics, genome-scale metabolic modeling, and multi-scale network geometry to decode metabolic coordination in colorectal cancer. We demonstrate that FAP+ cancer-associated fibroblasts and MARCO+ tumor-associated macrophages undergo extensive reprogramming, establishing metabolic division of labor: fibroblasts specialize in amino acid and fatty acid metabolism while macrophages adopt cancer-like nucleotide biosynthesis programs. Systematic knockout analysis identified 19 tumor-selective vulnerabilities in branched-chain amino acid catabolism, with MAOB validated as a prognostic marker through patient survival analysis. To reveal architectural organization, we applied multifractal geometric characterization and Ollivier-Ricci curvature analysis for the first time to flux-weighted metabolic networks derived from context-specific genome-scale models. While conventional network metrics failed to distinguish tumor from normal phenotypes, multifractal analysis successfully separated tissue states through coordinated architectural changes across hierarchical scales. Role transition analysis revealed that 20-25% of metabolites undergo functional reorganization, with prostaglandin and bile acid derivatives emerging as critical communication hubs between stromal populations. Curvature analysis identified pathway-specific geometric remodeling in fatty acid metabolism (fibroblasts) and leukotriene metabolism (macrophages). Our findings establish that metabolic adaptation represents ecosystem-level network reorganization rather than isolated pathway changes, providing a generalizable framework for identifying therapeutic strategies targeting cooperative metabolic networks.

systems biology↗

Prolactin receptor localization and dynamics: Insights from quantitative imaging and mathematical modeling

Signal transduction through the prolactin receptor (PRLR) is crucial in pancreatic {beta}-cell pro-liferation, impacting pancreatic homeostasis. PRLR-induced JAK/STAT signaling is dynamic, involving changes in spatial organization of signaling molecules. Thus, the spatial organization of PRLR could have strong implications on signaling output. Internalization has been shown and modeled in other signaling pathways but has not been considered in a mathematical model of PRLR signaling. Here, we use live-cell fluorescence imaging, reconstitution approaches, and fluorescence correlation spectroscopy (FCS) to inform a mathematical model of PRLR signaling. Internal PRLR localization is observed in primary pancreatic tissue and in an engineered PRLR expression system. Our imaging data indicate the presence of intracellular and plasma membrane-bound receptor populations. We use FCS to resolve the membrane-bound PRLR population. Based on our data, we include internalization dynamics within an ordinary differential equation (ODE) model of PRLR signaling. We employ the model to explore how the spatial heterogeneity of PRLR affects downstream signaling. We show that the model is more sensitive to PRLR trafficking rates and ability to promote signaling than to its initial spatial distribution. Our data underscore the versatility of a modeling-imaging framework to quantitatively understand signal transduction in and beyond {beta}-cells. Significance StatementO_LIProlactin receptor (PRLR) signal transduction impacts the growth and survival of insulin-secreting cells, making this pathway a target for building our understanding of pancreatic homeostasis and exploring potential diabetes therapeutics. C_LIO_LILive fluorescence imaging techniques applied within an engineered PRLR expression platform indicate PRLR localization patterns consistent with primary pancreatic tissue and the presence of two spatially distinct PRLR populations. These observations inform a predictive mathematical model of PRLR signaling. C_LIO_LIIntegrating experimental data tailored to computational approaches shapes our understanding of complex, multiscale systems such as signal transduction. A generalizable modeling-imaging framework enables the study of molecular dynamics beyond {beta}-cells. C_LI

cell biology↗

Cancer-associated fibroblasts drive metabolic heterogeneity in KRAS-mutant colorectal cancer cells

KRAS-mutant colorectal cancer (CRC) is characterized by metabolic reprogramming that can lead to tumor progression and drug resistance. The tumor microenvironment (TME) plays a pivotal role in modulating these metabolic adaptations. In particular, cancer-associated fibroblasts (CAFs), which make up a large portion of the TME, have been shown to strongly contribute to metabolic reprogramming in CRC. This study applies flux sampling, a computational method that explores the full range of feasible metabolic states, combined with representation learning and hierarchical clustering, to a computational model of central carbon metabolism to understand how CAFs influence metabolic adaptations of KRAS-mutant CRC cells following targeted enzyme knockdowns. Focusing on twelve key enzymes involved in glycolysis and the pentose phosphate pathway, knockdowns were simulated under both normal CRC media and CAF-conditioned media (CCM) conditions. Analysis revealed that CCM induces greater metabolic heterogeneity, with knockdown models exhibiting more variable and distinct metabolic states compared to those cultured in normal CRC media. While some enzyme knockdowns produced similar metabolic states, this overlap was less frequent in CCM, indicating that CAF-derived factors diversify the metabolic responses of CRC cells to enzyme perturbations. Pathway-level flux analysis demonstrated media-specific shifts in central carbon metabolism pathways. Importantly, the predicted biomass flux showed that enzyme knockdowns reduced growth across both conditions, but models in the CCM condition indicated CAFs could offer a protective effect against metabolic perturbation. Overall, this study reveals that CCM significantly influences the metabolic state and adaptability of KRAS-mutant CRC cells to enzyme perturbations, emphasizing the importance of including TME components in metabolic modeling and therapeutic development. These findings provide valuable insights into the metabolic adaptability of CRC and suggest that targeting tumor-CAF metabolic interactions may improve treatment strategies. Graphical Abstract Overview of computational workflowModels of interest represent simulated enzyme knockdowns in central carbon metabolism. Flux sampling searches the entire metabolic solution space and results in a distribution of flux values for each reaction within each model. Samples can be organized by knockdown and condition into matrices for input into representation learning. Representation learning is applied to sampling data to identify shared and independent metabolic states. Metabolic states indicate a heterogeneous response to enzyme knockdowns. Overlap of dark and light blue flux distributions, sampling clusters, and metabolic responses exemplify a shared metabolic state separate from to the gray unperturbed state. This workflow provides a low-dimensional representation of metabolic state that captures both the pathway- and reaction-level differences that describe each simulated knockdown. O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=172 SRC="FIGDIR/small/679631v1_ufig1.gif" ALT="Figure 1"> View larger version (34K): org.highwire.dtl.DTLVardef@cb6226org.highwire.dtl.DTLVardef@98d94eorg.highwire.dtl.DTLVardef@e2b20aorg.highwire.dtl.DTLVardef@116cfcd_HPS_FORMAT_FIGEXP M_FIG C_FIG

systems biology↗

Multiscale Probabilistic Modeling: A Bayesian Approach to Augment Mechanistic Models of Cell Signaling with Machine-Learning Predictions of Binding Affinity

Computational models in systems biology are often underdetermined--that is, there is little data relative to the complexity and size of the model. The lack of data is primarily due to limits in our ability to observe specific biological systems and restricts the utility of computational models. However, there are a growing number of experimental databases in biology. While these databases provide more observations, they often do not have observations that match the system of interest exactly. For example, database measurements might be collected at different experimental conditions or on a different scale compared to the system of interest. Here, we investigate what information can be gleaned from generalizing databases across these differences in the context of modeling a specific system - cell signaling. Ultimately, our goal is to better determine models of specific systems, thereby increasing their utility. To do this, we propose a novel, multiscale, probabilistic framework. We use this framework to integrate measurements of protein structure from the Protein Data Bank and measurements of amino acid sequence from the Universal Protein Resource into the parameter inference of cell signaling models. Then, we quantify exactly what information is gained from these measurements when modeling cell signaling. We choose to investigate the utility of these databases in the context of dynamic cell signaling models because experimental measurements of the variables of interest, protein dynamics, are still quite limited. We find that we can successfully integrate measurements from these databases to significantly improve parameter estimation of signaling models. The impact of sequence and structure measurements on model predictions depends on the sensitivity of the prediction to perturbations in the parameter values. Overall, this study demonstrates that measurements of protein structure and amino acid sequence can be leveraged to better inform parameters in models of cell signaling. Author SummaryComputational models of cell signaling have provided mechanistic insights into complex biological systems, including in physiological and disease settings. Accurate and predictive modeling critically depends on the precise estimation of model parameters, which is often hindered by the limited availability of experimental data. In this study, we present a novel multiscale probabilistic inference framework that broadens the scope of data types that can be leveraged for parameter estimation for models of cell signaling. The framework integrates a machine learning pipeline with a generalizable parameter inference approach, enabling the use of experimental data across scales. Specifically, we demonstrate that incorporating protein amino acid sequence and 3D structural data enhances parameter estimation compared to traditional measurements such as protein concentrations over time. Improving parameter estimation increases the robustness and applicability of cell signaling models. Ultimately, our framework facilitates use of a broader range of data and supports the development of predictive computational models that increase our understanding of cell signaling.

systems biology↗

Merging metabolic modeling and imaging for screening therapeutic targets in colorectal cancer

Cancer-associated fibroblasts (CAFs) play a key role in metabolic reprogramming and are well-established contributors to drug resistance in colorectal cancer (CRC). To exploit this metabolic crosstalk, we integrated a systems biology approach that identified key metabolic targets in a data-driven method and validated them experimentally. This process involved a novel machine learning-based method to computationally screen, in a high-throughput manner, the effects of enzyme perturbations predicted by a computational model of CRC metabolism. This approach reveals the network-wide effects of metabolic perturbations. Our results highlighted hexokinase (HK) as a crucial target, which subsequently became our focus for experimental validation using patient-derived tumor organoids (PDTOs). Through metabolic imaging and viability assays, we found that PDTOs cultured in CAF-conditioned media exhibited increased sensitivity to HK inhibition, confirming the model predictions. Our approach emphasizes the critical role of integrating computational and experimental techniques in exploring and exploiting CRC-CAF crosstalk.

systems biology↗

Integrating mechanism-based T cell phenotypes into a model of tumor-immune cell interactions

Interactions between cancer cells and immune cells in the tumor microenvironment influence tumor growth and can contribute to the response to cancer immunotherapies. It is difficult to gain mechanistic insights into the effects of cell-cell interactions in tumors using a purely experimental approach. However, computational modeling enables quantitative investigation of the tumor microenvironment, and agent-based modeling in particular provides relevant biological insights into the spatial and temporal evolution of tumors. Here, we develop a novel agent-based model (ABM) to predict the consequences of intercellular interactions. Furthermore, we leverage our prior work that predicts the transitions of CD8+ T cells from a naive state to a terminally differentiated state using Boolean modeling. Given the detailed incorporated to predict T cell state, we apply the integrated Boolean-ABM framework to study how the properties of CD8+ T cells influence the composition and spatial organization of tumors and the efficacy of an immune checkpoint blockade. Overall, we present a mechanistic understanding of tumor evolution that can be leveraged to study targeted immunotherapeutic strategies.

systems biology↗

Agent-based modeling of tumor-immune interactions reveals determinants of final tumor states

Interactions between tumor and immune cells in the tumor microenvironment (TME) influence tumor growth and the tumors response to treatment. Excitingly, this complex landscape of tumor-immune interactions can be studied using computational modeling. Mathematical oncology can provide quantitative insights into the TME, serving as a framework for understanding tumor dynamics. Here, we use an agent-based model to simulate the interactions among cancer cells, macrophages (naive, M1, and M2), and T cells (active CD8+ and inactive) in a 2D representation of the TME. Key diffusible factors, IL-4 and IFN-{gamma}, are also incorporated. We apply the model to predict how cell-specific properties influence tumor progression. The model predictions and analyses revealed the relationships between different cell populations and highlighted the importance of macrophages and T cells in shaping the TME. Thus, we quantify how components of the TME influence the final tumor state and the effects of macrophage-based therapies. The findings emphasize the significant role of computational models in unraveling the intricate dynamics of tumor-immune interactions and their potential for guiding the development of tailored immunotherapeutic strategies. This study provides a foundation for future investigations aiming to refine and expand the model, validate predictions experimentally, and pave the way for improved cancer treatments.

systems biology↗

Information-theoretic analysis of a model of CAR-4-1BB-mediated NFκB activation

Systems biology utilizes computational approaches to examine an array of biological processes, such as cell signaling, metabolomics and pharmacology. This includes mathematical modeling of CAR T cells, a modality of cancer therapy by which genetically engineered immune cells recognize and combat a cancerous target. While successful against hematologic malignancies, CAR T cells have shown limited success against other cancer types. Thus, more research is needed to understand their mechanisms of action and leverage their full potential. In our work, we set out to apply information theory on a mathematical model of cell signaling of CAR-mediated activation following antigen encounter. First, we estimated channel capacity for CAR-4-1BB-mediated NF{kappa}B signal transduction. Next, we evaluated the pathways ability to distinguish contrasting "low" and "high" antigen concentration levels, depending on the amount of intrinsic noise. Finally, we assessed the fidelity by which NF{kappa}B activation reflects the encountered antigen concentration, depending on the prevalence of antigen-positive targets in tumor population. We found that in most scenarios, fold change in the nuclear concentration of NF{kappa}B carries a higher channel capacity for the pathway than NF{kappa}Bs absolute response. Additionally, we found that most errors in transducing the antigen signal through the pathway skew towards underestimating the concentration of encountered antigen. Finally, we found that disabling IKK{beta} deactivation could increase signaling fidelity against targets with antigen-negative cells. Our information-theoretic analysis of signal transduction can provide novel perspectives on biological signaling, as well as enable a more informed path to cell engineering.

systems biology↗

Flux Sampling in Genome-scale Metabolic Modeling of Microbial Communities

1.Microbial communities play a crucial role in ecosystem function through metabolic interactions. Genome-scale modeling is a promising method to understand these interactions. Flux balance analysis (FBA) is most often used to predict the flux through all reactions in a genome-scale model. However, the fluxes predicted by FBA depend on a user-defined cellular objective. Flux sampling is an alternative to FBA, as it provides the range of fluxes possible within a microbial community. Furthermore, flux sampling may capture additional heterogeneity across cells, especially when cells exhibit sub-maximal growth rates. In this study, we simulate the metabolism of microbial communities and compare the metabolic characteristics found with FBA and flux sampling. We find significant differences in the predicted metabolism with sampling, including increased cooperative interactions and pathway-specific changes in predicted flux. Our results suggest the importance of sampling-based and objective function-independent approaches to evaluate metabolic interactions and emphasize their utility in quantitatively studying interactions between cells and organisms.

systems biology↗

A data-driven Boolean model explains memory subsets and evolution in CD8+ T cell exhaustion

T cells play a key role in a variety of immune responses, including infection and cancer. Upon stimulation, naive CD8+ T cells proliferate and differentiate into a variety of memory and effector cell types; however, failure to clear antigens causes prolonged stimulation of CD8+ T cells, ultimately leading to T cell exhaustion (TCE). The functional and phenotypic changes that occur during CD8+ T cell differentiation are well characterized, but the underlying gene expression state changes are not completely understood. Here, we utilize a previously published data-driven Boolean model of gene regulatory interactions shown to mediate TCE. Our network analysis and modeling reveal the final gene expression states that correspond to TCE, along with the sequence of gene expression patterns that give rise to those final states. With a model that predicts the changes in gene expression that lead to TCE, we could evaluate strategies to inhibit the exhausted state. Overall, we demonstrate that a common pathway model of CD8+ T cell gene regulatory interactions can provide insights into the transcriptional changes underlying the evolution of cell states in TCE.

systems biology↗

Ensemble-based genome-scale modeling predicts metabolic differences between macrophage subtypes in colorectal cancer

1Colorectal cancer (CRC) shows high incidence and mortality, partly due to the tumor microenvironment, which is viewed as an active promoter of disease progression. Macrophages are among the most abundant cells in the tumor microenvironment. These immune cells are generally categorized as M1, with inflammatory and anti-cancer properties, or M2, which promote tumor proliferation and survival. Although the M1/M2 subclassification scheme is strongly influenced by metabolism, the metabolic divergence between the subtypes remains poorly understood. Therefore, we generated a suite of computational models that characterize the M1- and M2-specific metabolic states. Our models show key differences between the M1 and M2 metabolic networks and capabilities. We leverage the models to identify metabolic perturbations that cause the metabolic state of M2 macrophages to more closely resemble M1 cells. Overall, this work increases understanding of macrophage metabolism in CRC and elucidates strategies to promote the metabolic state of anti-tumor macrophages.

systems biology↗

Fitting agent-based models to tumor images using representation learning

Agent-based models (ABMs) have enabled great advances in the study of tumor development and therapeutic response, allowing researchers to explore the spatiotemporal evolution of the tumor and its microenvironment. However, these models face serious drawbacks in the realm of parameterization - ABM parameters are typically set individually based on various data and literature sources, rather than through a rigorous parameter estimation approach. While ABMs can be fit to time-course data, that type of data loses the spatial information that is a defining feature of ABMs. Tumor images provide spatial information; however, such images only represent individual timepoints, limiting their utility in calibrating the tumor dynamics predicted by ABMs. Furthermore, it is exceedingly difficult to compare tumor images to ABM simulations beyond a qualitative visual comparison. Without a quantitative method of comparing the similarity of tumor images to ABM simulations, a rigorous parameter fitting is not possible. Here, we present a novel approach that applies neural networks to represent both tumor images and ABM simulations as low dimensional points, with the distance between points acting as a quantitative measure of difference between the two. This enables a quantitative comparison of tumor images and ABM simulations, where the distance between simulated and experimental images can be minimized using standard parameter-fitting algorithms. Here, we describe this method and present two examples to demonstrate the application of the approach to estimate parameters for two distinct ABMs. Overall, we provide a novel method to robustly estimate ABM parameters.

systems biology↗

Systematic Bayesian posterior analysis facilitates hypothesis formation and guides investigation of pancreatic beta cell signaling

Bayesian inference produces a posterior distribution for the parameters and predictions from a mathematical model that can be used to guide the formation of hypotheses; specifically, the posterior may be searched for evidence of alternative model hypotheses, which serves as a starting point for hypothesis formation and model refinement. Previous approaches to search for this evidence are largely qualitative and unsystematic; further, demonstrations of these approaches typically stop at hypothesis formation, leaving the questions they raise unanswered. Here, we introduce a Kullback-Leibler (KL) divergence-based ranking to expedite Bayesian hypothesis formation and investigate the hypotheses it generates, ultimately generating novel, biologically significant insights. Our approach uses KL divergence to rank parameters by how much information they gain from experimental data. Subsequently, rather than searching all model parameters at random, we use this ranking to prioritize examining the posteriors of the parameters that gained the most information from the data for evidence of alternative model hypotheses. We test our approach with two examples, which showcase the ability of our approach to systematically uncover different types of alternative hypothesis evidence. First, we test our KL divergence ranking on an established example of Bayesian hypothesis formation. Our top-ranked parameter matches the one previously identified to produce alternative hypotheses. In the second example, we apply our ranking in a novel study of a computational model of prolactin-induced JAK2-STAT5 signaling, a pathway that mediates beta cell proliferation. Here, we cluster our KL divergence rankings to select only a subset of parameters to examine for qualitative evidence of alternative hypotheses, thereby expediting hypothesis formation. Within this subset, we find a bimodal posterior revealing two possible ranges for the prolactin receptor degradation rate. We go on to refine the model, incorporating new data and determining which degradation rate is most plausible. Overall, we demonstrate that our approach offers a novel quantitative framework for Bayesian hypothesis formation and use it to produce a novel, biologically-significant insight.

systems biology↗

Computational analysis of 4-1BB-induced NF κB signaling suggests improvements to CAR cell design

BackgroundChimeric antigen receptor (CAR)-expressing cells are a powerful modality of adoptive cell therapy against cancer. The strength and dynamics of signaling events initiated upon antigen binding depend on the costimulatory domain within the structure of the CAR. One such costimulatory domain is 4-1BB, which affects cellular response via the NF{kappa}B pathway. However, the quantitative aspects of 4-1BB-induced NF{kappa}B signaling are not fully understood. MethodsWe developed an ordinary differential equation-based mathematical model representing canonical NF{kappa}B signaling activated by CAR-4-1BB. We first performed a global sensitivity analysis on our model to quantify the impact of kinetic parameters and initial protein concentrations. We ran Monte Carlo simulations of cell population-wide variability in NF{kappa}B signaling and used Kraskovs algorithm to quantify the mutual information between the extracellular signal and different levels of the NF{kappa}B signal transduction pathway. ResultsWe determined that in response to a wide range of antigen concentrations, the magnitude of the transient peak in the nuclear concentration of NF{kappa}B varies significantly, while the timing of this peak is relatively consistent. Our global sensitivity analysis showed that the model is robust to variations in parameter values, and thus, its quantitative predictions would remain applicable to a broad range of parameter values. Next, we found that overexpressing NEMO and disabling IKK{beta} deactivation are predicted to increase the mutual information between antigen levels and NF{kappa}B activation. ConclusionsOur modeling predictions provide actionable insights to guide CAR development. Particularly, we propose specific manipulations to the NF{kappa}B signal transduction pathway that can fine-tune the response of CAR-4-1BB cells to the antigen concentrations they are likely to encounter.

systems biology↗

Modeling predicts differences in CAR T cell signaling due to bio-logical variability

In recent decades, chimeric antigen receptors (CARs) have been successfully used to generate engineered T cells capable of recognizing and eliminating cancer cells. The structure of CARs frequently includes costimulatory domains, which enhance the T cell response upon antigen encounter. However, it is not fully known how the CAR co-stimulatory domains influence T cell activation in the presence of biological variability. In this work, we used mathematical modeling to elucidate how the inclusion of one such co-stimulatory molecule, CD28, impacts the response of a population of engineered T cells under different sources of variability. Particularly, our simulations demonstrate that CD28-bearing CARs mediate a faster and more consistent population response under both target antigen variability and kinetic rate variability. We identify kinetic parameters that have the most impact on mediating cell activation. Finally, based on our findings, we propose that enhancing the catalytic activity of lymphocyte-specific protein tyrosine kinase (LCK) can result in drastically reduced and more consistent response times among heterogeneous CAR T cell populations.

systems biology↗