Predictive toxicity study of four recently withdrawn drugs shows the power of SBW’s Ontomine software platform
Cisapride, Nimesulide, Phenylpropanolamine & Sibutramine drugs were just recently withdrawn from the market due to their high adverse effects like carcinogenicity, hepatotoxicity, cardiovascular issues etc.
We used our Ontomine in silico platform to predict the toxicities and adverse effects of these molecules. Test drugs were virtually screened through Ontomine’s toxicity knowledgebase, which has nearly 100 toxicity classes including acute toxicity, carcinogenicity, genotoxicity, developmental toxicity, hepatotoxicity etc. The Ontomine knowledgebase is developed based on the experimentally observed effects of more than 100.000 small molecules.
Ontomine was very well able to predict the observed adverse effects of these drugs. Cisapride, Phenylpropanolamine & Sibutramine were predicted to be carcinogenic. Hepatotoxicity was predicted with high confidence for Nimesulide, Sibutramine and with medium confidence for Cisapride. Sibutramine was predicted with high probability of to be a Heart Toxin.
Contact us to get the complete Ontomine predicted toxicity profiles of these drugs. Or see it for your own molecule – as proof for Ontomine in silico platform, we can do a free Bioactivity and Toxicity prediction for one of your molecules molecule using the Ontomine platform.
Ontomine features include
- Biological Activity Spectrum prediction for small molecules using Ontomine Bioactivity module. It includes prediction of
- Drug targets
- Biological processes
- Therapeutic areas
- Toxicity (systemic, organ specific and genetic) and side effect prediction using Ontomine Tox module
- ADME and physicochemical property prediction (Aqueous solubility, logP, logD, pKa) using Ontomine ADME QSAR module
- Scaffold hopping prediction for finding new isofunctional chemotypes
See more on our unique expertise and services with in-silico studies form this link with an ability to download service specific fact sheets: http://www.sbw.fi/ontomine
