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Technologien aus Wien
Phenaris Softwareentwicklungs und -consulting GmbH
PhenarisAt Phenaris we constantly challenge the status quo in computational drug design and in silico toxicology. Using cutting edge technologies we provide data, models, and decision support in all aspects of in silico toxicology. We are currently working on multiple solutions to provide data integration, model development, and decision support. With ToxPHACTS we develop an expert system for toxicological read across.
ToxPHACTSWith ToxPHACTS we integrate our expertise in computational toxicology and semantic data integration to offer an expert system which will help pharmaceutical companies to foresee possible side effects of new drugs.
In contrast to the current process for toxicological read across, ToxPHACTS
• uses innovative ways of similarity searching, such as bioisosteric similarity
• allows complex queries across multiple, semantically integrated data sources
• provides advanced visualisation tools for rapid and easy analysis of read across search results
ToxPHACTS combines highly innovative similarity searching with the power of semantically integrated life science data. This brings toxicological read across to the desktop of every toxicologist, allowing them to focus on the analysis of the results rather than spending a lot of time on searching. With its cutting-edge search and analysis tools, ToxPHACTS will save time, save money, and save animals.
AlleinstellungsmerkmalWhile there are several companies offering software for computational drug design, there is currently no software available for toxicological read across, which uses a combination of complex similarity searching combined with big data analysis. Current software packages are based on fragment analysis and thus follow a completely different approach.
EinsatzbeispieleToxPHACTS is an expert system for toxicological read across
Transporter ModelsTransmembrane Transport Proteins (TMTs) control nutrient uptake, ion transport, and drug transport across biological membranes. Predicting substrate and inhibition profiles of small molecules towards these transporters helps medicinal chemists to prioritize compounds in an early phase of the drug development process and guide toxicologists in the safety assessment of candidate compounds. Based on our long-lasting experience in the field of transporter informatics we offer a set of high quality computational models for predicting substrate and inhibitor profiles of small molecules towards a set of TMTs.
AlleinstellungsmerkmalOur model portfolio is constantly updated and expanded. Currently it includes prediction of inhibitors of P-glycoprotein, BSEP, and BCRP, and substrates of P-glycoprotein, BSEP, and BCRP. More transporter will come soon.
Kinetics-dbA considerable number of approved drugs show non-equilibrium binding characteristics, which emphasizes the role of drug residence time for in vivo efficacy. At the end of its 5 years period, the IMI funded K4DD project released most of its data to the public domain. Building on our contribution to this project we considerably enlarged the K4DD database and offer the largest data source for ligand binding kinetics accompanied with unprecedented analysis tools.
AlleinstellungsmerkmalOur Kinetics-db is a unique data repository for ligand binding kinetics
Kontakt Wirtschaftsagentur Wien
Die Informations- und Vernetzungsangebote werden im Rahmen des Projektes „IC3 Innovation by Co-Operation, Co-Creation and Community Building“ aus Mitteln des Europäischen Fonds für regionale Entwicklung kofinanziert. Nähere Informationen zum IWB/EFRE-Förderprogramm