scholarly journals GeNNet: an integrated platform for unifying scientific workflows and graph databases for transcriptome data analysis

PeerJ ◽  
2017 ◽  
Vol 5 ◽  
pp. e3509 ◽  
Author(s):  
Raquel L. Costa ◽  
Luiz Gadelha ◽  
Marcelo Ribeiro-Alves ◽  
Fábio Porto
Keyword(s):  
Protein Interactions ◽  
Gene Annotation ◽  
Scientific Workflow ◽  
Biological Data ◽  
Scientific Workflows ◽  
Gene Set Enrichment Analysis ◽  
Graph Database ◽  
Graph Databases ◽  
Biological Databases ◽  
Transcriptome Data

There are many steps in analyzing transcriptome data, from the acquisition of raw data to the selection of a subset of representative genes that explain a scientific hypothesis. The data produced can be represented as networks of interactions among genes and these may additionally be integrated with other biological databases, such as Protein-Protein Interactions, transcription factors and gene annotation. However, the results of these analyses remain fragmented, imposing difficulties, either for posterior inspection of results, or for meta-analysis by the incorporation of new related data. Integrating databases and tools into scientific workflows, orchestrating their execution, and managing the resulting data and its respective metadata are challenging tasks. Additionally, a great amount of effort is equally required to run in-silico experiments to structure and compose the information as needed for analysis. Different programs may need to be applied and different files are produced during the experiment cycle. In this context, the availability of a platform supporting experiment execution is paramount. We present GeNNet, an integrated transcriptome analysis platform that unifies scientific workflows with graph databases for selecting relevant genes according to the evaluated biological systems. It includes GeNNet-Wf, a scientific workflow that pre-loads biological data, pre-processes raw microarray data and conducts a series of analyses including normalization, differential expression inference, clusterization and gene set enrichment analysis. A user-friendly web interface, GeNNet-Web, allows for setting parameters, executing, and visualizing the results of GeNNet-Wf executions. To demonstrate the features of GeNNet, we performed case studies with data retrieved from GEO, particularly using a single-factor experiment in different analysis scenarios. As a result, we obtained differentially expressed genes for which biological functions were analyzed. The results are integrated into GeNNet-DB, a database about genes, clusters, experiments and their properties and relationships. The resulting graph database is explored with queries that demonstrate the expressiveness of this data model for reasoning about gene interaction networks. GeNNet is the first platform to integrate the analytical process of transcriptome data with graph databases. It provides a comprehensive set of tools that would otherwise be challenging for non-expert users to install and use. Developers can add new functionality to components of GeNNet. The derived data allows for testing previous hypotheses about an experiment and exploring new ones through the interactive graph database environment. It enables the analysis of different data on humans, rhesus, mice and rat coming from Affymetrix platforms. GeNNet is available as an open source platform at https://github.com/raquele/GeNNet and can be retrieved as a software container with the command docker pull quelopes/gennet.

scholarly journals GeNNet: An Integrated Platform for Unifying Scientific Workflow Management and Graph Databases for Transcriptome Data Analysis

2016 ◽  
Author(s):  
Raquel L. Costa ◽  
Luiz M. R. Gadelha ◽  
Marcelo Ribeiro-Alves ◽  
Fabio Porto
Keyword(s):  
Regulatory Networks ◽  
Workflow Management ◽  
Scientific Workflow ◽  
Biological Data ◽  
Scientific Workflows ◽  
Graph Database ◽  
Graph Databases ◽  
Biological Databases ◽  
Transcriptome Data ◽  
Daunting Task

AbstractBackgroundThere are many steps in analyzing transcriptome data, from the acquisition of raw data to the selection of a subset of representative genes that explain a scientific hypothesis. The data produced may additionally be integrated with other biological databases, such as Protein-Protein Interactions and annotations. However, the results of these analyses remain fragmented, imposing difficulties, either for posterior inspection of results, or for meta-analysis by the incorporation of new related data. Integrating databases and tools into scientific workflows, orchestrating their execution, and managingthe resulting data and its respective metadata are challenging tasks. Running in-silico experiments to structure and compose the information as needed for analysis is a daunting task. Different programsmay need to be applied and different files are produced during the experiment cycle. In this context,the availability of a platform supporting experiment execution is paramount.ResultsWe present GeNNet, an integrated transcriptome analysis platform that unifies scientific workflows with graph databases for selecting relevant genes according to the evaluated biological systems. GeNNet includes pre-loaded biological data, pre-processes raw microarray data and conducts a series of analyses including normalization, differential expression inference, clusterization and geneset enrichment analysis. To demonstrate the features of GeNNet, we performed case studies with data retrieved from GEO, particularly using a single-factor experiment. As a result, we obtained differentially expressed genes for which biological functions were analyzed. The results are integrated into GeNNet-DB, a database about genes, clusters, experiments and their properties and relationships.The resulting graph database is explored with queries that demonstrate the expressiveness of this data model for reasoning about gene regulatory networks.ConclusionsGeNNet is the first platform to integrate the analytical process of transcriptome data with graph database. It provides a comprehensive set of tools that would otherwise be challenging for non-expert users to install and use. Developers as well can add new functionality to each component of GeNNet. The resulting data allows for testing previous hypotheses about an experiment as well as exploring new ones through the interactive graph database environment. It enables the analysis of different data on humans, rhesus, mice and rat coming from Affymetrix platforms.

scholarly journals Applying graph database technology for analyzing perturbed co-expression networks in cancer

Database ◽  
2020 ◽  
Vol 2020 ◽  
Author(s):  
Claire M Simpson ◽  
Florian Gnad
Keyword(s):  
Relational Databases ◽  
Molecular Mechanisms ◽  
Biological Data ◽  
Database Management System ◽  
Graph Database ◽  
Graph Databases ◽  
Graph Representations ◽  
Rnaseq Data ◽  
Database Technology ◽  
Speed Accuracy

Abstract Graph representations provide an elegant solution to capture and analyze complex molecular mechanisms in the cell. Co-expression networks are undirected graph representations of transcriptional co-behavior indicating (co-)regulations, functional modules or even physical interactions between the corresponding gene products. The growing avalanche of available RNA sequencing (RNAseq) data fuels the construction of such networks, which are usually stored in relational databases like most other biological data. Inferring linkage by recursive multiple-join statements, however, is computationally expensive and complex to design in relational databases. In contrast, graph databases store and represent complex interconnected data as nodes, edges and properties, making it fast and intuitive to query and analyze relationships. While graph-based database technologies are on their way from a fringe domain to going mainstream, there are only a few studies reporting their application to biological data. We used the graph database management system Neo4j to store and analyze co-expression networks derived from RNAseq data from The Cancer Genome Atlas. Comparing co-expression in tumors versus healthy tissues in six cancer types revealed significant perturbation tracing back to erroneous or rewired gene regulation. Applying centrality, community detection and pathfinding graph algorithms uncovered the destruction or creation of central nodes, modules and relationships in co-expression networks of tumors. Given the speed, accuracy and straightforwardness of managing these densely connected networks, we conclude that graph databases are ready for entering the arena of biological data.

Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations

2019 ◽  
Author(s):  
Filip Fratev ◽  
Denisse A. Gutierrez ◽  
Renato J. Aguilera ◽  
suman sirimulla
Keyword(s):  
Virtual Screening ◽  
Success Rate ◽  
Protein Interactions ◽  
In Silico ◽  
Biological Data ◽  
In Vitro Binding ◽  
Vitro Binding ◽  
Screening Protocol ◽  
Screening Approaches

AKT1 is emerging as a useful target for treating cancer. Herein, we discovered a new set of ligands that inhibit the AKT1, as shown by in vitro binding and cell line studies, using a newly designed virtual screening protocol that combines structure-based pharmacophore and docking screens. Taking together with the biological data, the combination of structure based pharamcophore and docking methods demonstrated reasonable success rate in identifying new inhibitors (60-70%) proving the success of aforementioned approach. A detail analysis of the ligand-protein interactions was performed explaining observed activities.<br>

scholarly journals Advantages of using graph databases to explore chromatin conformation capture experiments

2021 ◽  
Vol 22 (S2) ◽  
Author(s):  
Daniele D’Agostino ◽  
Pietro Liò ◽  
Marco Aldinucci ◽  
Ivan Merelli
Keyword(s):  
Web Application ◽  
High Throughput Sequencing ◽  
Cell Types ◽  
Graph Database ◽  
Graph Databases ◽  
Sources Of Information ◽  
Chromosome Conformation ◽  
Wide Scale ◽  
User Friendly ◽  
Different Cell Types

Abstract Background High-throughput sequencing Chromosome Conformation Capture (Hi-C) allows the study of DNA interactions and 3D chromosome folding at the genome-wide scale. Usually, these data are represented as matrices describing the binary contacts among the different chromosome regions. On the other hand, a graph-based representation can be advantageous to describe the complex topology achieved by the DNA in the nucleus of eukaryotic cells. Methods Here we discuss the use of a graph database for storing and analysing data achieved by performing Hi-C experiments. The main issue is the size of the produced data and, working with a graph-based representation, the consequent necessity of adequately managing a large number of edges (contacts) connecting nodes (genes), which represents the sources of information. For this, currently available graph visualisation tools and libraries fall short with Hi-C data. The use of graph databases, instead, supports both the analysis and the visualisation of the spatial pattern present in Hi-C data, in particular for comparing different experiments or for re-mapping omics data in a space-aware context efficiently. In particular, the possibility of describing graphs through statistical indicators and, even more, the capability of correlating them through statistical distributions allows highlighting similarities and differences among different Hi-C experiments, in different cell conditions or different cell types. Results These concepts have been implemented in NeoHiC, an open-source and user-friendly web application for the progressive visualisation and analysis of Hi-C networks based on the use of the Neo4j graph database (version 3.5). Conclusion With the accumulation of more experiments, the tool will provide invaluable support to compare neighbours of genes across experiments and conditions, helping in highlighting changes in functional domains and identifying new co-organised genomic compartments.

scholarly journals Monitoring of Grid Scientific Workflows

2008 ◽  
Vol 16 (2-3) ◽  
pp. 205-216
Author(s):  
Bartosz Balis ◽  
Marian Bubak ◽  
Bartłomiej &Lstrok;abno
Keyword(s):  
Real Life ◽  
Scientific Workflow ◽  
Point Of View ◽  
Scientific Workflows ◽  
Monitoring Data ◽  
Monitoring Point ◽  
Loosely Coupled ◽  
Provenance Data ◽  
On Line ◽  
Monitoring Architecture

Scientific workflows are a means of conducting in silico experiments in modern computing infrastructures for e-Science, often built on top of Grids. Monitoring of Grid scientific workflows is essential not only for performance analysis but also to collect provenance data and gather feedback useful in future decisions, e.g., related to optimization of resource usage. In this paper, basic problems related to monitoring of Grid scientific workflows are discussed. Being highly distributed, loosely coupled in space and time, heterogeneous, and heavily using legacy codes, workflows are exceptionally challenging from the monitoring point of view. We propose a Grid monitoring architecture for scientific workflows. Monitoring data correlation problem is described and an algorithm for on-line distributed collection of monitoring data is proposed. We demonstrate a prototype implementation of the proposed workflow monitoring architecture, the GEMINI monitoring system, and its use for monitoring of a real-life scientific workflow.

scholarly journals Tripal and Galaxy: supporting reproducible scientific workflows for community biological databases

Database ◽  
2020 ◽  
Vol 2020 ◽  
Author(s):  
Shawna Spoor ◽  
Connor Wytko ◽  
Brian Soto ◽  
Ming Chen ◽  
Abdullah Almsaeed ◽  
...  
Keyword(s):  
Workflow Management ◽  
Application Programming Interface ◽  
Scientific Workflow ◽  
Biological Databases ◽  
Web Based ◽  
Job Management ◽  
The Galaxy ◽  
Application Programming ◽  
Computational Resources ◽  
Programming Interface

Abstract Online biological databases housing genomics, genetic and breeding data can be constructed using the Tripal toolkit. Tripal is an open-source, internationally developed framework that implements FAIR data principles and is meant to ease the burden of constructing such websites for research communities. Use of a common, open framework improves the sustainability and manageability of such as site. Site developers can create extensions for their site and in turn share those extensions with others. One challenge that community databases often face is the need to provide tools for their users that analyze increasingly larger datasets using multiple software tools strung together in a scientific workflow on complicated computational resources. The Tripal Galaxy module, a ‘plug-in’ for Tripal, meets this need through integration of Tripal with the Galaxy Project workflow management system. Site developers can create workflows appropriate to the needs of their community using Galaxy and then share those for execution on their Tripal sites via automatically constructed, but configurable, web forms or using an application programming interface to power web-based analytical applications. The Tripal Galaxy module helps reduce duplication of effort by allowing site developers to spend time constructing workflows and building their applications rather than rebuilding infrastructure for job management of multi-step applications.

scholarly journals A Rule-based Conversion of an EER Schema to Neo4j Schema Constraints

2021 ◽  
Author(s):  
Telmo Henrique Valverde da Silva ◽  
Ronaldo dos Santos Mello
Keyword(s):  
Data Model ◽  
Design Methodology ◽  
A Priori ◽  
Database Management System ◽  
Conversion Process ◽  
Graph Database ◽  
Graph Databases ◽  
Rule Based ◽  
Promising Solution ◽  
Entity Relationship

Several application domains hold highly connected data, like supply chain and social network. In this context, NoSQL graph databases raise as a promising solution since relationships are first class citizens in their data model. Nevertheless, a traditional database design methodology initially defines a conceptual schema of the domain data, and the Enhanced Entity-Relationship (EER) model is a common tool. This paper presents a rule-based conversion process from an EER schema to Neo4j schema constraints, as Neo4j is the most representative NoSQL graph database management system with an expressive data model. Different from related work, our conversion process deals with all EER model concepts and generates rules for ensuring schema constraints through a set of Cypher instructions ready to run into a Neo4j database instance, as Neo4J is a schemaless system, and it is not possible to create a schema a priori. We also present an experimental evaluation that demonstrates the viability of our process in terms of performance.

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