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58 results for “pathway evolution”
Alignments used in "The evolution of the phenylpropanoid pathway entailed pronounced radiations and divergences of enzyme families"
<p>Alignments used in de Vries et al. (2021) "The evolution of the phenylpropanoid pathway entailed pronounced radiations and divergences of enzyme families" published as</p> <p>(1) a pre-print: https://doi.org/10.1101/2021.05.27.445924</p> <p>(2) in Plant Journal (in press)</p>
Data from: Stochastic character mapping, Bayesian model selection, and biosynthetic pathways shed new light on the evolution of habitat preference in cyanobacteria
<p>Cyanobacteria are the only prokaryotes to have evolved oxygenic photosynthesis paving the way for complex life. Studying the evolution and ecological niche of cyanobacteria and their ancestors is crucial for understanding the intricate dynamics of biosphere evolution. These organisms frequently deal with environmental stressors such as salinity and drought, and they employ compatible solutes as a mechanism to cope with these challenges. Compatible solutes are small molecules that help maintain cellular osmotic balance in high-salinity environments, such as marine waters. Their production plays a crucial role in salt tolerance, which, in turn, influences habitat preference. Among the five known compatible solutes produced by cyanobacteria (sucrose, trehalose, glucosylglycerol, glucosylglycerate, and glycine betaine), their synthesis varies between individual strains. In this study, we work in a Bayesian stochastic mapping framework, integrating multiple sources of information about compatible solute biosynthesis in order to predict the ancestral habitat preference of Cyanobacteria. Through extensive model selection analyses and statistical tests for correlation, we identify glucosylglycerol and glucosylglycerate as the most significantly correlated with habitat preference, while trehalose exhibits the weakest correlation. Additionally, glucosylglycerol, glucosylglycerate, and glycine betaine show high loss/gain rate ratios, indicating their potential role in adaptability, while sucrose and trehalose are less likely to be lost due to their additional cellular functions. Contrary to previous findings, our analyses predict that the last common ancestor of Cyanobacteria (living at around 3180 Ma) had a 97% probability of a high salinity habitat preference and was likely able to synthesize glucosylglycerol and glucosylglycerate. Nevertheless, cyanobacteria likely colonized low-salinity environments shortly after their origin, with an 89% probability of the first cyanobacterium with low-salinity habitat preference arising prior to the Great Oxygenation Event (2460 Ma). Stochastic mapping analyses provide evidence of cyanobacteria inhabiting early marine habitats, aiding in the interpretation of the geological record. Our age estimate of ~2590 Ma for the divergence of two major cyanobacterial clades (Macro- and Microcyanobacteria) suggests that these were likely significant contributors to primary productivity in marine habitats in the lead-up to the Great Oxygenation Event, and thus played a pivotal role in triggering the sudden increase in atmospheric oxygen.</p>
Dataset from Computational modeling of anthocyanin pathway evolution: Biases, hotspots, and trade-offs
<p>This directory contains the scripts used to run simulations, Jupyter notebook with complete analysis, and serialized (pickled) raw simulated dataset from our paper "<em>Computational modeling of anthocyanin pathway evolution: Biases, hotspots, and trade-offs</em>". These materials are referenced in the main text and supplemental text of the publication. The purpose of this repository is to facilitate replication of our analysis by any interested parties. </p>
Supplementary Data: Evolution of the cholesterol biosynthesis pathway in animals
<p>Cholesterol plays essential roles in animal development and disease progression. Here, we characterize the evolutionary pattern of the canonical cholesterol biosynthesis pathway (CBP) in the animal kingdom using both genome-wide analyses and functional experiments. CBP genes in the basal metazoans were inherited from their last common eukaryotic ancestor and evolutionarily conserved for cholesterol biosynthesis. The genomes of both the basal metazoans and deuterostomes retain almost the full set of CBP genes, while Cnidaria and many protostomes have independently experienced multiple massive losses of CBP genes that might be due to the geologic events during the Ediacaran period, such as the appearance of an exogenous sterol supply and the frequent perturbation of ocean oxygenation. Meanwhile, the indispensable utilization processes of cholesterol potentially strengthened the maintenance of the complete set of CBP genes in vertebrates. These results strengthen both biotic and abiotic roles in the macroevolution of a biosynthesis pathway in animals.</p>
Data from: Stochastic character mapping, Bayesian model selection, and biosynthetic pathways shed new light on the evolution of habitat preference in cyanobacteria
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The evolution of multi-gene families and metabolic pathways in the evening primroses (Oenothera: Onagraceae): a comparative transcriptomics approach
<p>The plant genus <em>Oenothera</em> has played an important role in the study of genome evolution and plant defense and reproduction. Here, we built on the 1kp transcriptomic dataset and developed a molecular resource of 63 transcriptomes and present a large-scale comparative study across 29 <em>Oenothera</em> species. We produced 2.3 million transcripts and 25.4 Mb of total length assembly per individual. We used this transcriptome resource to examine genome-wide evolutionary patterns and functional diversification by searching for orthologous genes and performed gene family evolution analysis. We found wide heterogeneity in gene family evolution across the genus, with section <em>Oenothera </em>exhibiting the most pronounced evolutionary changes. Overall, more significant expansions occurred than contractions. We also analyzed the molecular evolution of phenolic metabolism by retrieving proteins annotated for phenolic enzymatic complexes. We identified 1,568 phenolic genes arranged into 83 multigene families that varied widely across the genus. All taxa experienced rapid phenolic evolution involving 33 gene families, which exhibited large expansions, gaining about 2-fold more genes than they lost. Upstream enzymes phenylalanine ammonia-lyase (PAL) and 4-coumaroyl: CoA ligase (4CL) accounted for most of the significant expansions and contractions. Our results suggest that adaptive responses to environmental stress coupled with non-adaptive evolutionary forces have contributed to <em>Oenothera </em>diversification and rapid gene family evolution.</p>
Docking data for "The evolution of the SARS-CoV-2 spike protein for differential usage of the host transmembrane serine proteases entry pathway"
<p><br>The dataset includes predicted complexes of the SARS-CoV-2 Spike protein (specifically at the S2' cleavage site) with Hepsin and TMPRSS2 proteins. It contains data on three variants: Wuhan, Delta, and Omicron BA.1.</p> <p><strong>Compressed folders:</strong></p> <p>-357596-DeltaHepsin.tgz</p> <p>-357597-DeltaTMPRSS2.tgz</p> <p>-360039-WuhanHepsin.tgz</p> <p>-360042-TMPRSSWuhan.tgz</p> <p>-392981-TMPRSS-BA1_all.tgz</p> <p>-392982-Hepsin-BA-all.tgz</p> <p><strong>Each compressed folder contains the following:</strong></p> <p>-Initial structures in pdb format</p> <p>-Output complexes in pdb format</p> <p>-Clusters in pdb format</p> <p>-Protocols</p> <p>-Parameters</p> <p>-Scoring files</p> <p> </p> <p><strong>Protein-protein docking </strong><br>Molecular docking between the SARS-CoV-2 S protein of Wuhan, Delta (PDB: 7W92, [DOI: 10.1038/s41467-022-28528-w]), and BA.1 (PDB: 7XO5, [DOI: 10.1038/s41422-022-00672-4]) and the human proteases TMPRSS2 (PDB: 8HD8, [DOI: 10.1038/s41467-023-42527-5]) and Hepsin (PDB: 1Z8G, [DOI: 10.1042/BJ20041955]) was performed using the HADDOCK v2.5-2024.03 webserver ([DOI: 10.1021/ja026939x], [DOI: 10.1016/j.jmb.2015.09.014]). Missing loops in the protein structures were reconstructed using Modeller v10.5 ([DOI: 10.1006/jmbi.1993.1626]). Every heteroatom was removed from the reference structures. The relaxed atomistic coordinates for each S protein variant were derived via all-atom molecular dynamics (MD) simulations. These simulations were performed using AMBER22 with the FF19SB force fields and the pmemd.cuda module for enhanced performance ([DOI: 10.1021/acs.jcim.3c01153], [DOI: 10.1021/jz501780a], [DOI:10.1021/ct400314y]). For the Wuhan variant the S protein was retrieved from our previous modeling study [DOI: 10.1039/D0NR03969A] where for Delta and BA.1, ecah S protein was placed in a dodecahedral box, extending 20 Å beyond the solute in every cartesian direction, and solvated with the four-site OPC water model ([DOI: 10.1021/jz501780a]). The systems were neutralized with counterions, specifically one Cl− ion for the Delta variant and three Cl- ions for the BA.1 variant. To remove local clashes, a geometric optimization was performed using the steepest descent algorithm for 5000 cycles. The MD equilibration process consisted of several stages. First, temperature equilibration in the NVT ensemble was performed by gradually increasing the temperature through steps of 150, 200, 250, 300, and finally 310 K, each lasting 200 ps. During this phase, position restraints were applied to the heavy atoms of the proteins, with progressively decreasing spring constants of 5.0, 4.0, 3.0, and 1.0 kcal mol−1 Å−2, facilitating gradual relaxation. This was followed by a 1 ns equilibration at 310 K in the NPT ensemble without restraints. For production MD, the simulations were run in the NPT ensemble with periodic boundary conditions and Particle Mesh Ewald (PME) method ([DOI: 10.1063/5.0040966], [DOI: 10.1021/ct9001015]) using a grid spacing of 1.0 Å for long-range electrostatics. Non-bonded interactions were modeled with a Lennard-Jones potential using a 9Å cutoff. Temperature control was maintained using Langevin dynamics ([DOI: 10.1021/ct800573m]) with a collision frequency of 4.0 ps−1, and pressure control was managed by the Monte Carlo barostat ([DOI: 10.1016/j.cplett.2003.12.039]) with a 2.0 ps relaxation time at 1 bar. Bond constraints on hydrogen atoms were applied using the SHAKE algorithm ([DOI: 10.1016/0021-9991(77)90098-5]), and the hydrogen mass repartitioning scheme was applied via ParmEd ([DOI: 10.1371/journal.pcbi.1005659]), enabling a 4 fs integration time step ([DOI: 10.1021/ct5010406]). Each protein complex was simulated for a total of 20 ns. For the Wuhan variant, the 3D coordinates were retrieved from [DOI: 10.5281/zenodo.3817446].<br>The active interaction region on the spike protein was defined as the cleavage site (residues P809-R815). For TMPRSS2 and Hepsin, the active sites were defined based on their catalytic residues: H296, D345, D435, S441, S460, and G462 for TMPRSS2, and H203, D257, D347, A348, and S353 for Hepsin. These specific regions were selected to guide the docking process and maximize biologically relevant interactions. Docking clusters were analyzed by selecting those with the lowest interaction energies for further structural analysis. To evaluate binding accuracy, native contacts between the S protein and proteases were computed using the contact map analysis based on the OV+rCSU method ([DOI: 10.12693/APhysPolA.145.S9, 10.1021/acs.jctc.6b00986]), which allows for a precise identification of critical stabilizing interactions, both specific and non-specifics. High-frequency contacts, defined as those appearing in over 70% of the generated models, were highlighted as key determinants of protein-protein recognition, providing insight into the most stable and consistent interactions across docking configurations.</p>
Data from: Comparative genomic analysis of nine Sphingobium strains: insights into their evolution and Hexachlorocyclohexane (HCH) degradation pathways
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Data from: Parallel molecular evolution in pathways, genes, and sites in high-elevation hummingbirds revealed by comparative transcriptomics
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Genomics of new ciliate lineages provides insight into the evolution of obligate anaerobiosis - single gene datasets for phylogenomic analysis of anaerobic ciliates (SAL, Ciliophora), protein datasets for mitochondrial pathways prediction, and mitochondrial genomes
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The evolution of multi-gene families and metabolic pathways in the evening primroses (Oenothera: Onagraceae): a comparative transcriptomics approach
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Data from: Do convergent ecomorphs evolve through convergent morphological pathways? Cranial shape evolution in fossil hyaenids and borophagine canids (Carnivora, Mammalia)
Cases of convergent evolution, particularly within ecomorphological contexts, are instructive in identifying universally adaptive morphological features across clades. Tracing of evolutionary pathways by which ecomorphological convergence takes place can further reveal mechanisms of adaptation, which may be strongly influenced by phylogeny. Ecomorphologies of carnivorous mammals represent some of the most outstanding cases of convergent evolution in the Cenozoic radiation of mammals. This study examined patterns of cranial shape change in the dog (Canidae) and hyena (Hyaenidae) families, in order to compare the evolutionary pathways that led to the independent specialization of bone-cracking hypercarnivores within each clade. Geometric morphometrics analyses of cranial shape in fossil hyaenids and borophagine canids provided evidence for deep-time convergence in morphological pathways toward the independent evolution of derived bone-crackers. Both clades contained stem members with plesiomorphic generalist/omnivore cranial shapes, which evolved into doglike species along parallel pathways of shape change. The evolution of specialized bone-crackers from these doglike forms, however, continued under the constraint of a full cheek dentition and restriction on rostrum length reduction in canids, but not hyaenids. Functionally, phylogenetic constraint may have limited borophagine canids to crack bones principally with their carnassial instead of the third premolar as in hyaenids, but other cranial shape changes associated with durophagy nevertheless evolved in parallel in the two lineages. Size allometry was not a major factor in cranial shape evolution in either lineage, supporting the interpretation of functional demands as drivers for the observed convergence. The comparison between borophagines and hyaenids showed that differential effects of alternative functional "solutions" that arise during morphological evolution may be multiplied with processes of the "macroevolutionary ratchet" already in place to further limit the evolutionary pathways available to specialized lineages.
Data from: The convergent evolution of snake-like forms by divergent evolutionary pathways in squamate reptiles
Convergent evolution of phenotypes is considered evidence that evolution is deterministic. Establishing if such convergent phenotypes arose through convergent evolutionary pathways is a stronger test of determinism. We studied the evolution of snake-like body shapes in six clades of lizards, each containing species ranging from short-bodied and pentadactyl to long-bodied and limbless. We tested whether body shapes that evolved in each clade were convergent, and whether clades evolved snake-like body shapes following convergent evolutionary pathways. Our analyses showed that indeed species with the same numbers of digits in each clade evolved convergent body shapes. We then compared evolutionary pathways among clades by considering patterns of evolutionary integration and shape of relationship among body parts, patterns of vertebral evolution, and models of digit evolution. We found that all clades elongated their bodies through the addition, not elongation, of vertebrae, and had similar patterns of integration. However, patterns of integration, the body parts that were related by a linear or a threshold model, and patterns of digit evolution differed among clades. These results showed that clades followed different evolutionary pathways. This suggests an important role of historical contingency as opposed to determinism in the convergent evolution of snake-like body shapes.
Molecular evolution of phototransduction pathway genes in nocturnal and diurnal fireflies (Coleoptera: Lampyridae)
<p>Most organisms are dependent on sensory cues from their environment for survival and reproduction. Fireflies (Coleoptera: Lampyridae) represent an ideal system for studying sensory niche adaptation due to many species relying on bioluminescent communication, as well as a diversity of ecology. Here we examine the phototransduction pathway in this non-model organism, and provide some of the first evidence for positive selection in the PT pathway in insects. Duplications are found in calmodulin, inactivation no afterpotential C, inactivation no afterpotential D, and transient receptor potential. We also find strong support for positive selection in arrestin-2, inactivation no afterpotential D, and transient receptor potential, with weak support for positive selection in guanine nucleotide-binding protein G(q) subunit alpha and neither inactivation nor afterpotential C. This represents an exciting new avenue of study as we seek to further understand these molecular players.</p>
Data for Patterns of ontogenetic evolution across extant marsupials reflect different allometric pathways to ecomorphological diversity
<p>Data associated with: Wilson LAB, López-Aguirre C, Archer M, Hand SJ, Flores D, Abdala F, Giannini NP. 2023. Patterns of ontogenetic evolution across extant marsupials reflect different allometric pathways to ecomorphological diversity. Nature Communications</p>
Dataset to article "Distinct traits of structural and regulatory evolutional conser-vation of human genes with specific focus on major cancer mo-lecular pathways"
<p>Abstract: Evolution of protein coding genes has both structural and regulatory components. The first can be assessed by measuring the ratio of non-synonymous to synonymous nucleotide sub-stitutions. The second component can be measured as the normalized proportion of transposable elements that used as the regulatory elements. For the first time, we characterized in parallel the regulatory and structural evolutionary profiles for 10,890 human genes and 2,972 molecular pathways. We observed ~0.1 correlation between the structural and regulatory metrics at the gene level, which appeared much higher (~0.4) at the pathway level. We deposited the data in the publicly available database RetroSpect accessible at https://retrospect.oncobox.com. We also analyzed evolutionary dynamics of six cancer pathways of two major axes: Notch/WNT/Hedgehog and AKT/mTOR/EGFR. The Hedgehog pathway had both components slower, whereas the Akt pathway had clearly accelerated structural evolution. In particular, the major hub nodes Akt and beta-catenin showed both components strongly decreased, whereas two major regulators of Akt TCL1 and CTMP had outstandingly high evolutionary rates. We al-so noticed structural conservation of serine/threonine kinases and the genes related to guanosine metabolism in cancer signaling: GPCRs, G proteins, and small regulatory GTPases (Src, Rac, Ras); however, this was compensated by the accelerated regulatory evolution.</p>
Data from: Exploring the possible role of hybridization in the evolution of photosynthetic pathways in Flaveria (Asteraceae), the prime model of C4 photosynthesis evolution
<p><em>Flaveria</em> (Asteraceae) is the prime model for the study of C<sub>4</sub> photosynthesis evolution and seems to support a stepwise acquisition of the pathway through C<sub>3</sub>-C<sub>4</sub> intermediate phenotypes, still existing in <em>Flaveria</em> today. Molecular phylogenies of <em>Flaveria</em> based on concatenated data matrices are currently used to reconstruct the complex sequence of trait shifts during C<sub>4</sub> evolution. To assess the possible role of hybridization in C<sub>4</sub> evolution in <em>Flaveria</em>, we re-analyzed transcriptome data of 17 <em>Flaveria</em> species to infer the extent of gene tree discordance and possible reticulation events. We found massive gene tree discordance as well as reticulation along the backbone and within clades containing C<sub>3</sub>-C<sub>4</sub> intermediate and C<sub>4</sub>-like species. An early hybridization event between two C<sub>3</sub> species might have triggered C<sub>4 </sub>evolution in the genus. The clade containing all C<sub>4</sub> species plus the C<sub>4</sub>-like species F. vaginata and<em> F. palmeri </em>is highly supported in our phylogenetic analyses, but it might be of hybrid origin involving <em>F. angustifolia</em> and<em> F. sonorensis</em> (both C<sub>3</sub>-C<sub>4</sub> intermediate) as parental lineages. Hybridization seems to be a driver of C<sub>4</sub> evolution in<em> Flaveria</em> and likely promoted the fast acquisition of C<sub>4</sub> traits. This new insight can be used in further exploring C<sub>4</sub> evolution and can inform C<sub>4</sub> bioengineering efforts.</p>
PERFECT - Portuguese Evolut Registry Studying the Outcomes of Medtronic Evolut™ FX+ TAVI System by Evaluating an Optimal Care Pathway for TAVI
ClinicalTrials.gov study NCT07343674. IPD Sharing: NO. Countries: 1. Publications: 30.
Evaluation of a Pathway on the Evolution of Renal Function in Patients With Advanced Chronic Kidney Disease
ClinicalTrials.gov study NCT06219798. IPD Sharing: NO. Countries: 1. Publications: 0.
Data from: The convergent evolution of snake-like forms by divergent evolutionary pathways in squamate reptiles
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.