Otava Chemicals developed RNA Targeted Library (2542 compounds in total), which is a special screening library that contains compounds with predicted RNA interaction activity based on different types of secondary structures
It has been scientifically established that RNA is important for the regulation of transcription, translational regulation, protein function and catalysis, which were classically braked by protein function. RNA functions also include applications in the treatment of many diseases, including bacterial / viral infection and cancer . Secondary RNA structures such as double helices, hairpins, convexities, inner loop, stems - the structural basis for the development of therapeutic agents, which we took into account when developing our RNA target library (2542 compounds), which is a special screening library. It consists of compounds with putative RNA interaction activity.
Compounds were selected according to Bayesian models using the most active matrix compounds . Separately, we collected a training set of target miRNA compounds taken from the PubChem database.
Two models, one based on the FCFP6 fingerprints and the other on the ECFP6, formed the basis of the training kits. LogP, molecular weight, number of hydrogen donors and acceptors, number of rotating bonds, number of rings and molecular polar surface area were used by us to build more accurate models.
The best compounds were selected after screening the OTAVAchemicals Drug-Green drug collection.
Therefore, all compounds from the RNA target library correspond to the physical and structural parameters of typical RNA target compounds and contain important molecular fragments.
It contains only drug-like compounds, which provides an excellent basis for research on post-transcriptional regulation of genes, projects for the detection of antitumor, antiviral and antibacterial drugs.