Transmembrane 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 inhibitor profiles of small molecules towards a set of TMTs.
The Phenaris Transporter Models can predict ligand-transporter interaction in 3 easy steps: log-in, upload SDF files, run prediction. Our model portfolio is constantly updated and expanded. Version 1 already included prediction of inhibitors of P-glycoprotein, BCRP, BSEP, MRP3, OATP1B1, and OATP1B3.
What's new in version 2? Register for our webinar!
The Phenaris team is delighted to announce the release of version 2 of our transporter models. With the addition of three new transporters (OCT1, OCT2, MATE1), we are now offering models for 8 transporters which are involved in drug/drug interactions and hepatotoxicity. Furthermore, we modified the input layout to allow easier bulk selection of models.
Feel free to register for our Webinar on November 24th, 2020 at 16:00 CET to learn more about our Transporter Models.
To give you a closer insight into the functionalities and design of our Transporter Models we also produced a short demo video. See how you can easily draw and analyse your compounds and get results in a standardised and aggregated form with state of the art data visualisation in just a few minutes.
For accessing the models, we offer very flexible licensing conditions, ranging from pay per use up to annual site licenses. More elaborated studies such as docking based classification or substrate predictions are available upon request. For more information please contact us.
About Phenaris
We are a spin-off from the Pharmacoinformatics Research Group at the University of Vienna, where we are engaged in all aspects of molecular modeling with a focus on drug transporter, data mining, and in silico toxicology. At Phenaris we transform our 20+ years experience in chem-informatics and data science into tangible products to assist toxicologists and medicinal chemists in their daily work.
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 working on multiple solutions to provide data integration, model development, and decision support. Currently, we are developing computational models for prediction of ligand-transporter interaction and ToxPHACTS, an expert system for toxicological read across.
Our main motivation is the excitement about translating our scientific research ideas to real products, which assist the development of new safe medicines and lead to a considerable reduction of animal experiments.
Contact
Anika Dangl, MA
Phenaris Softwareentwicklungs- und Consulting GmbH
Maria-Jacobi-Gasse 1
1030 Wien
E-Mail: anika.dangl(at)phenaris.com
Web: www.phenaris.com