Search bioRxiv⌕ Search

Biology subjects

Connor, A. J.

Publications and source records attributed to Connor, A. J..

3 recordsLinked to original sources

Deep Learning-based structural and functional annotation of Pandoravirus hypothetical proteins

Giant viruses, including Pandoraviruses, contain large amounts of genomic dark matter - genes encoding proteins of unknown function. New generation, deep learning-based protein structure modelling offers new opportunities to apply structure-based function inference to these sequences, often labelled as hypothetical proteins. However, the AlphaFold Protein Structure Database, a convenient resource covering the majority of UniProt, currently lacks models for most viral proteins. Here, we apply a panoply of predictive methods to protein structure predictions representative of large clusters of hypothetical proteins shared among four Pandoraviruses. In several cases, strong functional predictions can be made. Thus, we identify a likely nucleotidyltransferase putatively involved in viral tRNA maturation that has a BTB domain presumably involved in protein-protein interactions. We further identify a cluster of membrane channel sequences presenting three paralogous families which may, as seen in other giant viruses, induce host cell membrane depolarization. And we identify homologues of calcium-activated potassium channel beta subunits and pinpoint their likely Acanthamoeba cellular alpha subunit counterparts. Despite these successes, many other clusters remain cryptic, having folds that are either too functionally promiscuous or too novel to provide strong clues as to their role. These results suggest that significant structural and functional novelty remains to be uncovered in the giant virus proteomes.

bioinformatics↗

The importance of geometry in the corneal micropocket assay

The corneal micropocket angiogenesis assay is an experimental protocol for studying vessel network formation, or neovascularization, in vivo. The assay is attractive due to the ease with which the developing vessel network can be observed in the same animal over time. Measurements from the assay have been used in combination with mathematical modeling to gain insights into the mechanisms of angiogenesis. While previous modeling studies have adopted planar domains to represent the assay, the hemispherical shape of the cornea and asymmetric positioning of the angiogenic source can be seen to affect vascular patterning in experimental images. As such, we aim to better understand: i) how the geometry of the assay influences vessel network formation and ii) how to relate observations from planar domains to those in the hemispherical cornea. To do so, we develop a three-dimensional, off-lattice mathematical model of neovascularization in the cornea, using a spatially resolved representation of the assay for the first time. Relative to the detailed model, we predict that the adoption of planar geometries has a noticeable impact on vascular patterning, leading to increased vessel merging, or anastomosis, in particular when circular geometries are adopted. Significant differences in the dynamics of diffusible aniogenesis simulators are also predicted between different domains. In terms of comparing predictions across domains, the distance of the vascular front to the limbus metric is found to have low sensitivity to domain choice, while metrics such as densities of tip cells and vessels and vascularized fraction are sensitive to domain choice. Given the widespread adoption and attractive simplicity of planar tissue domains, both in silico and in vitro, the differences identified in the present study should prove useful in relating the results of previous and future theoretical studies of neovascularization to in vivo observations in the cornea.\n\nAuthor summaryNeovascularization, or the formation of new blood vessels, is an important process in development, wound healing and cancer. The corneal micropocket assay is used to better understand the process and, in the case of cancer, how it can be controlled with drug therapies for improved patient outcomes. In the assay, the hemispherical shape of the cornea can influence the way the vessel network forms. This makes it difficult to directly compare results from experiments with the predictions of mathematical models or cell culture experiments, which are typically performed on flat substrates or planar matrices. In this study, we use mathematical modeling to investigate how the hemispherical shape of the cornea affects vessel formation and to identify how sensitive different measurements of neovascularization are to geometry.

physiology↗

Microvessel Chaste: An Open Library for Spatial Modelling of Vascularized Tissues

Spatial models of vascularized tissues are widely used in computational physiology, to study for example, tumour growth, angiogenesis, osteogenesis, coronary perfusion and oxygen delivery. Composition of such models is time-consuming, with many researchers writing custom software for this purpose. Recent advances in imaging have produced detailed three-dimensional (3D) datasets of vascularized tissues at the scale of individual cells. To fully exploit such data there is an increasing need for software that allows user-friendly composition of efficient, 3D models of vascularized tissue growth, and comparison of predictions with in vivo or in vitro experiments and other models. Microvessel Chaste is a new open-source library for building spatial models of vascularized tissue growth. It can be used to simulate vessel growth and adaptation in response to mechanical and chemical stimuli, intra- and extra-vascular transport of nutrient, growth factor and drugs, and cell proliferation in complex 3D geometries. The library provides a comprehensive Python interface to solvers implemented in C++, allowing user-friendly model composition, and integration with experimental data. Such integration is facilitated by interoperability with a growing collection of scientific Python software for image processing, statistical analysis, model annotation and visualization. The library is available under an open-source Berkeley Software Distribution (BSD) licence at https://jmsgrogan.github.io/MicrovesselChaste. This article links to two reproducible example problems, showing how the library can be used to model tumour growth and angiogenesis with realistic vessel networks.

systems biology↗