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 their long-lasting experience in the field of transporter informatics they 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.
The Phenaris team is delighted to announce the release of version 2 of their transporter models. With the addition of three new transporter (OCT1, OCT2, MATE1), they are now offering models for 8 transporter which are involved in drug/drug interactions and hepatotoxicity. Furthermore, they 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 Transporter Models!