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Dias, A.

Publications and source records attributed to Dias, A..

At least 19 recordsLinked to original sources

A quantitative imaging framework reveals density-dependent GPCR oligomerization and organization in living cells

GPCR oligomerization has been reported for decades, yet its extent and functional relevance in living cells remain unresolved because existing approaches, often done in bulk, are poorly account for local receptor density, a major determinant of intermolecular interactions. Here, we establish a generic quantitative imaging framework that links spatially resolved FRET measurements describing protein oligomerization to local membrane protein in living cells. Using automated high-throughput analysis of fluorescence images, the method generates large density-resolved datasets that enable direct quantification of receptor oligomerization parameters, including apparent affinity, oligomerization state, and monomer/dimer populations at the submicrometer scale. Applied to class A GPCRs in HEK293 cells, the approach reveals receptor-specific density-dependent equilibria between monomers and dimers over physiologically relevant expression ranges, with no evidence for stable higher-order oligomers under basal conditions. The receptors studied exhibit distinct apparent affinities for dimerization, ranging from predominantly monomeric to dynamic monomer-dimer equilibria, indicating that local membrane density strongly influences receptor organization and that it is receptor dependent. The agreement between our measurements and low-density single-molecule studies further suggests that previously reported higher-order oligomers may partly reflect density-driven receptor proximity effects. By bridging single-molecule and ensemble measurements within a unified quantitative framework, this work reconciles conflicting observations in the GPCR oligomerization literature and provides a broadly applicable strategy for investigating membrane protein organization in living cells. SignificanceGPCR oligomerization in living cells is strongly influenced by the local protein density, yet most approaches do not quantitatively account for this parameter. Here, we introduce a quantitative high-throughput imaging framework that directly relates membrane protein local density to local oligomerization state in living cells. Applied to distinct GPCRs over physiologically relevant density ranges, the method reveals distinct density-dependent monomer-dimer equilibrium and apparent affinities for self-association. These results help reconcile longstanding discrepancies, where distinct oligomerization states have been measured depending on experimental conditions. More broadly, this work establishes local membrane protein density as a key determinant of membrane protein organization, and provides a quantitative framework applicable to membrane protein complexes in their native cellular context.

biophysics↗

Competing regulatory modules control the transition between mammalian gastrulation modes

During mammalian gastrulation cells of the primary germ layers are generated in anterior-to-posterior sequence employing different morphogenetic modes. Initial gastrulation is characterized by cell ingression through the early primitive streak, followed by posterior embryonic axis elongation via cell recruitment from progenitor pools. Molecular details of different genetic programs controlling early and late gastrulation remain ill described. Here, we employed stem cell-based mouse gastruloids to reveal two consecutively acting regulatory modules that orchestrate spatiotemporal progression of gastrulation. The early anterior module consists of the Tbx transcription factor Eomes, and signalling molecules Nodal and Wnt3 that initiate gastrulation and generate anterior mesoderm and definitive endoderm from the early streak. The anterior module represses the second, Tbxt/Wnt3a posterior regulatory module controlling axial extension at trunk levels. Both circuitries are self-reinforcing while mutually repressing the counteracting module at multiple levels as the molecular basis for the spatiotemporal progression of gastrulation along the AP axis.

developmental biology↗

N2B27 media formulations influence gastruloid development

Gastruloids are 3D aggregates of pluripotent stem cells grown in suspension culture that mimic many aspects of gastrulation and early axial elongation. The N2B27 basal medium in which mouse gastruloids are cultured can either be home-made (HM-N2B27) with materials of known origin, or commercially sourced (NDiff227), where the exact formulation is unknown. In this study we examined whether these formulations resulted in significant differences in gastruloid development. Our results reveal that while both media enable the standard gastruloid elongation, HM-N2B27 results in gastruloids that start the elongation process earlier, have higher number of cells and an increased anterior domain. RNAseq analysis showed significant differences in cell fate specification, with HM-N2B27 gastruloids exhibiting higher expression of spinal cord-related genes, while NDiff227 favours mesodermal differentiation. Furthermore, differential gene enrichment analysis suggests that changes in key signalling pathways underline the differences between HM-N2B27 and NDiff227 gastruloids. These findings highlight the importance of basal media composition for gastruloid development, underscoring the need for careful media selection during in vitro engineering of stem cell-based embryo models. Summary statementIn this work we explored the cellular and molecular sensitiveness of the mouse gastruloid model system to variations in N2B27 media formulations.

developmental biology↗

Transthyretin Levels and Instability in Alzheimer's Disease: Correlations with AD Biomarkers in a Cohort Study

BackgroundIn the last few decades, Transthyretin (TTR) has gained attention due to its implication in brain functions and neurodegenerative conditions, such as Alzheimers Disease (AD) by modulating amyloid-beta (A{beta}) pathology. This study aims to assess TTR levels and tetrameric instability in both plasma and cerebrospinal fluid (CSF) across the clinical continuum of AD, and to establish associations between TTR and key AD biomarkers, to enhance our understanding of the role of TTR in AD pathogenesis. MethodsWe conducted an evaluation of TTR levels and tetrameric instability in plasma and CSF in mild cognitive impairment (MCI-AD, n=29) and Dementia-AD (n=37) patients and examined the association with clinical, biochemical and genetic data. ResultsKey findings revealed a substantial decrease in plasma TTR levels in the Dementia-AD patients compared to the MCI-AD group, with a pronounced gender-specific effect identified in women, while no differences were detected in the CSF. The search for associations identified several correlations amongst MCI-AD patients where CSF TTR levels inversely correlated with markers of amyloid pathology and neurodegeneration such as A{beta}40 (r=-0.43, p < 0.02), p-Tau181 (r=-0.54, p < 0.03), t-Tau (r=-0.57, p< 0.001) and NfL (r=-0.49, p<0.006). CSF TTR instability also correlated negatively with CSF A{beta}42 (r=-0.6, p<0.001) and A{beta}42/A{beta}40 ratio (r=-0.58, p<0.001), indicating an association with increased amyloid burden. In the Dementia-AD group, plasma TTR levels correlated negatively with GFAP (r=-0.4, p<0.014), reflecting potential links with neuroinflammation. Additionally, plasma TTR instability correlated with CSF TTR instability (r=0.42, p < 0.009) and tau pathology markers (p-Tau181 (r=0.38, p < 0.02) and t-Tau (r=0.42, p<0.09)). Given the strong association between CSF TTR instability and A{beta}42, we investigated the effect of the peptide on TTR tetrameric instability and showed a clear increase in TTR instability in samples incubated with A{beta}42 for 24 hours (p<0.05). ConclusionsThis study emphasizes several associations between TTR and other key indicators of AD and suggests TTR is associated with A{beta} clearance, neurodegeneration, and neuroinflammation across different stages of the disease. We propose A{beta}42 and its increase in the brain as a factor destabilizing the TTR tetrameric fold, resulting in TTR impaired function.

neuroscience↗

A temporal coordination between Nodal and Wnt signalling governs the emergence of the mammalian body plan

Nodal and Wnt signalling play an important role in the emergence of the mammalian body plan, primarily by orchestrating gastrulation. While the literature suggests they cooperate to build the primitive streak, their individual contributions remain poorly understood. Using gastruloids, we found that Wnt/{beta}-catenin drives a genetic program characteristic of the late primitive streak, promoting the development of posterior body structures in a time and dose-dependent manner. Conversely, Nodal activates a distinct transcriptional module resembling the early streak. By engineering gastruloids with varying levels of Nodal signalling, we demonstrate that a decreasing temporal gradient of Nodal activity is critical for establishing the anterior body, with higher Nodal levels producing more anterior structures in a concentration-dependent manner. Our findings suggest that Nodal and Wnt act antagonistically, initiating distinct developmental modules within the primitive streak. This antagonism is likely the core mechanism driving the early body plan in mammals.

developmental biology↗

Rac1 inhibition prevents axonal cytoskeleton dysfunction in Transthyretin Amyloid Polyneuropathy

Hereditary transthyretin amyloidosis with polyneuropathy (ATTRv-PN) is characterized by the deposition of amyloidogenic TTR, particularly in dorsal root ganglia (DRG) and peripheral nerve axons, resulting in sensorimotor axonopathy with autonomic dysfunction. Here, we investigated cytoskeleton alterations in peripheral axons from an ATTRv-PN mouse model, the hTTRA97S knock-in mice. Proteomics of hTTRA97S sural nerves revealed dysregulation of actin-related proteins. hTTRA97S DRG neurons presented a defective actin distribution in growth cones along with a reduction in axonal actin trails, and an associated impairment in the pool of pre-synaptic vesicles. Microtubule dynamics and axonal transport abnormalities were also observed in mutant axons. Importantly, cytoskeletal defects in hTTRA97S neurons preceded axonal degeneration and were mediated by Rac1 hyperactivation in DRG neurites and sciatic nerves of pre-symptomatic mice. Rac1 inhibition rescued cytoskeleton alterations, preventing degeneration. Remarkably, in ATTRv-PN patients with late-onset disease, a variant in RACGAP1, encoding a Rac1 inactivator, supported the neuroprotective role of Rac1 inhibition. Our findings demonstrate that cytoskeletal defects precede axonal degeneration in ATTRv-PN and highlight Rac1 as a promising therapeutic target.

neuroscience↗

Population responses to environmental stochasticity are primarily driven by survival-reproduction trade-offs and mediated by aridity

Forecasting responses of natural populations to increasingly stochastic environments is a major challenge in Ecology and Conservation Biology. We now know that populations can modulate how their vital rates (e.g., survival, reproduction) change through time to minimise the negative impacts of environmental stochasticity. However, despite the important analytical and theoretical advances that have led to this knowledge, we still do not know (1) how much this ability of natural populations to buffer against environmental stochasticity can vary in nature, nor (2) the drivers of these strategies, with likely candidates including the environmental regimes themselves, as well as the life history traits and phylogenetic ancestry of the species of interest. To address these questions, we parameterised a Bayesian generalised linear mixed model with high-resolution vital rate data from 134 natural populations across 89 species of plants and animals. We show that population responses to environmental stochasticity vary three orders of magnitude along a demographic buffering continuum. Furthermore, the position of a given population along said continuum is predicted by a survival-reproduction trade-off and by the degree of aridity the population experiences. Our findings open a promising avenue of research to improve ecological forecasts and management of natural populations in the Anthropocene.

ecology↗

REV1 Coordinates a Multi-Faceted Tolerance Response to DNA Alkylation Damage and Prevents Chromosome Shattering in Drosophila melanogaster

When replication forks encounter damaged DNA, cells utilize DNA damage tolerance mechanisms to allow replication to proceed. These include translesion synthesis at the fork, postreplication gap filling, and template switching via fork reversal or homologous recombination. The extent to which these different damage tolerance mechanisms are utilized depends on cell, tissue, and developmental context-specific cues, the last two of which are poorly understood. To address this gap, we have investigated damage tolerance responses following alkylation damage in Drosophila melanogaster. We report that translesion synthesis, rather than template switching, is the preferred response to alkylation-induced damage in diploid larval tissues. Furthermore, we show that the REV1 protein plays a multi-faceted role in damage tolerance in Drosophila. Drosophila larvae lacking REV1 are hypersensitive to methyl methanesulfonate (MMS) and have highly elevated levels of {gamma}-H2Av foci and chromosome aberrations in MMS-treated tissues. Loss of the REV1 C-terminal domain (CTD), which recruits multiple translesion polymerases to damage sites, sensitizes flies to MMS. In the absence of the REV1 CTD, DNA polymerases eta and zeta become critical for MMS tolerance. In addition, flies lacking REV3, the catalytic subunit of polymerase zeta, require the deoxycytidyl transferase activity of REV1 to tolerate MMS. Together, our results demonstrate that Drosophila prioritize the use of multiple translesion polymerases to tolerate alkylation damage and highlight the critical role of REV1 in the coordination of this response to prevent genome instability. Author SummaryOrganisms have evolved several ways to continue copying their DNA when it is damaged, grouped into the categories of translesion synthesis and template switching. These damage tolerance mechanisms prevent replication forks from collapsing when they encounter DNA damage and prevent catastrophic genome instability and cell death. While the proteins and pathways involved in damage tolerance are beginning to be understood at the single cell level, how they are regulated in multicellular organisms is an intriguing question. In this study, we investigated the mechanisms by which Drosophila tolerate alkylation damage during their development. We discovered that tissues containing rapidly dividing diploid cells favor translesion synthesis over template switching, preferentially utilizing different translesion polymerases in a context-dependent manner. Furthermore, we showed that the REV1 protein, best known for its role in recruiting translesion DNA polymerases to damage sites, performs multiple functions during damage tolerance. Together, our results demonstrate that damage tolerance preferences for multicellular organisms may differ from those observed in cultured cells, and establish Drosophila as a useful model system for studying tolerance mechanisms.

molecular biology↗

CodonBERT: Large Language Models for mRNA Design and Optimization

AO_SCPLOWBSTRACTC_SCPLOWmRNA based vaccines and therapeutics are gaining popularity and usage across a wide range of conditions. One of the critical issues when designing such mRNAs is sequence optimization. Even small proteins or peptides can be encoded by an enormously large number of mRNAs. The actual mRNA sequence can have a large impact on several properties including expression, stability, immunogenicity, and more. To enable the selection of an optimal sequence, we developed CodonBERT, a large language model (LLM) for mRNAs. Unlike prior models, CodonBERT uses codons as inputs which enables it to learn better representations. CodonBERT was trained using more than 10 million mRNA sequences from a diverse set of organisms. The resulting model captures important biological concepts. CodonBERT can also be extended to perform prediction tasks for various mRNA properties. CodonBERT outperforms previous mRNA prediction methods including on a new flu vaccine dataset.

bioinformatics↗

Tgfbr1 controls developmental plasticity between the hindlimb and external genitalia by remodeling their regulatory landscape

The hindlimb and external genitalia of present-day tetrapods are thought to derive from an ancestral common primordium that evolved to generate a wide diversity of structures adapted for efficient locomotion and mating in the ecological niche conquered by the species. We show that despite long evolutionary distance from the ancestral condition, the early primordium of the mouse external genitalia preserved the capacity to take hindlimb fates. In the absence of Tgfbr1, the pericloacal mesoderm generates an extra pair of hindlimbs at the expense of the external genitalia. It has been shown that the hindlimb and the genital primordia share many of their key regulatory factors. Tgfbr1 controls the response to those factors by modulating the accessibility status of regulatory elements that control the gene regulatory networks leading to the formation of genital or hindlimb structures. Our work uncovers a remarkable tissue plasticity with potential implications in the evolution of the hindlimb/genital area of tetrapods, and identifies a novel mechanism for Tgfbr1 activity that might also contribute to the control of other physiological or pathological processes.

developmental biology↗

Quantitative Determination of Protein Concentration in Living Cells

Biological systems are regulated by molecular interactions which are tuned by the concentrations of each of the molecules involved. Cells exploit this feature by regulating protein expression, to adapt their responses to overstimulation. Correlating events in single cells to the concentrations of proteins involved can therefore provide important mechanistic insight into cell behavior. Unfortunately, quantification of molecular densities by fluorescence imaging becomes non-trivial due to the diffraction limited resolution of the imaged volume. We show here an alternative approach to overcome this limitation in optical quantification of protein concentrations which is based on calibrating protein volume and surface densities in a model membrane system. We exploit the ability of fluorescently labeled annexin V to bind membranes in presence of calcium. By encapsulating known concentrations of annexin V, we can directly infer the membrane density of annexin V after addition of Ca2+ and correlate the density with the measured fluorescence signal. Our method, named Calmet, enables quantitative determination of the concentration of cytosolic and membrane associated proteins. The applicability of Calmet is demonstrated by quantification of a transmembrane protein receptor (beta 1 adrenergic receptor) labeled by SNAP tagged fluorophores and expressed in HEK293 cells. Calmet is a generic method suitable for the determination of a broad range of concentrations and densities and can be used on regular fluorescence images captured by confocal laser scanning microscopy.

biophysics↗

Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease

SARS-CoV-2 is the causative agent of COVID-19. The highly conserved viral NSP15 endoribonuclease, NendoU, is a key enzyme involved in viral immune evasion, and a promising target for the development of new classes of antivirals. Yet, the broad variety of recognition sequences, complex assembly and kinetics, and lack of structural complexes hampers the development of new competitive or allosteric inhibitors for this target. Here, we performed enzymatic characterization of NendoU in its monomeric and hexameric form, showing that hexamers are allosteric enzymes with a positive cooperative index of 2. By using cryo-EM at distinct pHs combined with X-ray crystallography and structural analysis, we demonstrate the potential for NendoU to shift between open and closed states, and assembly in larger supramolecular entities, which might serve as a mechanism of self-regulation. Further, we report results from a large fragment screening campaign against NendoU, revealing multiple new allosteric sites for the development of inhibitors.

biochemistry↗

Suitable use of FRET-based Biosensors for Quantitative Detection of GPCR Activation

Cyclic adenosine 3,5-monophosphate is an important second messenger molecule that regulates many downstream signaling pathways in cells. Detection of cAMP levels relies on screenings of cell lysates or the use of genetically encoded biosensors for detection in living cells. Genetically encoded biosensors are, however, primarily used for bioimaging and rarely in high-throughput screenings of potential drug candidates. Here, we describe a quantitative fluorescence-based imaging method based on measurements of single living cells. We used a genetically encoded Epac149 biosensor to investigate cAMP production in living cells following ligand stimulation. The study revealed a dependence of the measured cAMP levels on the expression level of the biosensor in transiently transfected cells. While the biosensor maintained linearity of the signal at high expression levels, the linearity of the biosensor was lost at lower expression levels due to a deficit of the biosensor compared to the maximum possible production of cAMP in the cells. This problem was circumvented by establishment of a stable cell line with constitutive expression of the biosensor. We established dose response curves by stimulation with the {beta}1-adrenergic receptor partial agonist denopamine and observed up to 1.48-fold difference in the cellular response as well as up to 4.27-fold difference in LogEC50 values between cells with insufficient and sufficient biosensor expression. Careful characterization and control of the biosensor expression is therefore important in order to conduct quantitative analysis of the cAMP production and it allows the use of genetically encoded biosensor to be applied in high-throughput screenings.

biophysics↗

A photoswitchable ligand targeting β1-adrenoceptor enables light-control of the cardiac rhythm

Catecholamine-triggered {beta}-adrenoceptor ({beta}-AR) signaling is essential for the correct functioning of the heart. Although both {beta}1- and {beta}2-AR subtypes are expressed in cardiomyocytes, drugs selectively targeting {beta}1-AR have proven this receptor as the main target for the therapeutic effects of beta blockers in heart. Here, we report a new strategy for the spatiotemporal control of {beta}1-AR activation by means of light-regulated drugs with a high level of {beta}1-/{beta}2-AR selectivity. All reported molecules allow for an efficient real time optical control of receptor function in vitro. Moreover, using confocal microscopy we demonstrate that the binding of our best hit, pAzo-2, can be reversibly photocontrolled. Strikingly, pAzo-2 also enables a dynamic cardiac rhythm management on alive zebrafish larvae using light, thus highlighting the therapeutic and research potential of the developed photoswitches. Overall, this work provides the first proof of precise control of the therapeutic target {beta}1-AR in native environments using light.

pharmacology and toxicology↗

Global trade-offs in tree functional traits

AO_SCPLOWBSTRACTC_SCPLOWDue to massive energetic investments in woody support structures, trees are subject to unique physiological, mechanical, and ecological pressures not experienced by herbaceous plants. When considering trait relationships across the entire plant kingdom, plant trait frameworks typically must omit traits unique to large woody species, thereby limiting our understanding of how these distinct ecological pressures shape trait relationships in trees. Here, by considering 18 functional traits--reflecting leaf economics, wood structure, tree size, reproduction, and below-ground allocation--we quantify the major axes of variation governing trait expression of trees worldwide. We show that trait variation within and across angiosperms and gymnosperms is captured by two independent processes: one reflecting tree size and competition for light, the other reflecting leaf photosynthetic capacity and nutrient economies. By exploring multidimensional relationships across clusters of traits, we further identify a representative set of seven traits which captures the majority of variation in form and function in trees: maximum tree height, stem conduit diameter, specific leaf area, seed mass, bark thickness, root depth, and wood density. Collectively, this work informs future trait-based research into the functional biogeography of trees, and contributes to our fundamental understanding of the ecological and evolutionary controls on forest biodiversity and productivity worldwide.

ecology↗

Chemical characterization; Antimicrobial and Larvicidal activity of essential oil from Callistemon citrinus (Bottle brush) leaves

Mosquito-borne diseases are prevalent in more than 100 countries across the world. They are the major vectors for transmission of Malaria, dengue, yellow fever, filariasis, schistosomiasis, Japanese encephalitis etc. Many of the formerly employed insecticides in mosquito control have harmful effects on human health and other non-target populations, their non-biodegradable nature, the higher rate of bio-magnification in our ecosystem and increasing insecticide resistance on global scale are raising serious concerns. . Therefore, search for natural, eco-friendly alternatives such as bio-insecticides is imperative. In this study, Larvicidal activity of the essential oil obtained from the leaves of Callistemon citrinus was tested on Dengue vector mosquito Aedes aegypti & Chikungunya vector mosquito Culex sp. Also, the chemical composition of the essential oil was recorded using GC-MS analysis. The anti-microbial activity of the essential oil was checked against a few common bacteria and fungi. Callistemon citrinus comes out to be one of such bio-insecticides with many therapeutic active constituents, showing appreciable anti-microbial activity and 80-100% larvicidal activity.

pharmacology and toxicology↗

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

The SARS-CoV-2 macrodomain (Mac1) within the non-structural protein 3 (Nsp3) counteracts host-mediated antiviral ADP-ribosylation signalling. This enzyme is a promising antiviral target because catalytic mutations render viruses non-pathogenic. Here, we report a massive crystallographic screening and computational docking effort, identifying new chemical matter primarily targeting the active site of the macrodomain. Crystallographic screening of diverse fragment libraries resulted in 214 unique macrodomain-binding fragments, out of 2,683 screened. An additional 60 molecules were selected from docking over 20 million fragments, of which 20 were crystallographically confirmed. X-ray data collection to ultra-high resolution and at physiological temperature enabled assessment of the conformational heterogeneity around the active site. Several crystallographic and docking fragment hits were validated for solution binding using three biophysical techniques (DSF, HTRF, ITC). Overall, the 234 fragment structures presented explore a wide range of chemotypes and provide starting points for development of potent SARS-CoV-2 macrodomain inhibitors.

biochemistry↗

COVID Moonshot: Open Science Discovery of SARS-CoV-2 Main Protease Inhibitors by Combining Crowdsourcing, High-Throughput Experiments, Computational Simulations, and Machine Learning

We report the results of the COVID Moonshot, a fully open-science, crowd sourced, structure-enabled drug discovery campaign targeting the SARS-CoV-2 main protease. We discovered a non-covalent, non-peptidic inhibitor scaffold with lead-like properties that is differentiated from current main protease inhibitors. Our approach leveraged crowdsourcing, machine learning, exascale molecular simulations, and high-throughput structural biology and chemistry. We generated a detailed map of the structural plasticity of the SARS-CoV-2 main protease, extensive structure-activity relationships for multiple chemotypes, and a wealth of biochemical activity data. All compound designs (>18,000 designs), crystallographic data (>840 ligand-bound X-ray structures), assay data (>10,000 measurements), and synthesized molecules (>2,400 compounds) for this campaign were shared rapidly and openly, creating a rich open and IP-free knowledgebase for future anti-coronavirus drug discovery.

biochemistry↗