Viral RNA-dependent RNA Polymerases Targeted Library

Otava Research Institute scientists prepared new Viral RNA-dependent RNAPolymerases Targeted Library for antiviral drug discovery and study. It consists of 1259 compounds with predicted activity against viral RdRPs. Machine learning (artificial neural networks and Bayesian statistics) was used for design. Virtual screening of Drug-like Green Collection toward best artificial neural networks and Bayesian models was performed. Top-scored compounds, selected by machine learning methods, were visually analyzed. The application of different artificial neural networks and models (14 in total) should allow increasing the number of active compounds identified during screenings.
The designed Viral RdRPs Targeted Library comprises only drug-like compounds (PAINS compounds are filtered off). The library is intended for screening projects to find new antiviral compounds.