RNA is of irreplaceable importance in normal and aberrant cellular functions. In recent years, a wide variety of diseases, including viral and bacterial infections, cancer and degenerative processes, have emphasized the high potential of approaches targeted on the structure of particular RNA. RNA chains have a completely specific shapes defined by primary and secondary structures, such as double helices, stem-loop structures, pseudoknots, etc. They can therefore form the appropriate binding sites for candidate ligands.
BOC Sciences has developed RNA screening libraries designed by using two ligand-based approaches, providing more than 4,400 drug-like compounds with predicted RNA-binding activity.
Advantages of RNA-targeted Drugs
- Rich candidate targets
- Short development cycle
- Long-lasting efficacy
- high clinical development success rate
Figure 1. RNAi-based phenotypic profiling: combining HT screening using siRNA libraries. (Sachse, C.; Echeverri, C. J. 2004)
RNA Targeted Library Design
BOC Sciences has utilized different techniques to design two libraries to screen out drug-like compounds with predicted RNA-binding activity for posttranscriptional gene regulation researches, anticancer, antiviral and antibacterial drug discovery projects
Pharmacophore search and a shape similarity search are used to enrich the library with new structures that can form the same type of interactions as known ligands. Three 3D pharmacophore models are employed for in silico screening based on the structures of most known binders. In addition, substructure searches is used to find molecules with common structural moieties and cores known to be important for interactions with RNA
BOC Sciences also supports modeling and docking method with fully considering the structural features of RNAs in the design of our RNA targeted library. This unique screening library contains compounds with predicted RNA interaction activity based on different types of secondary structures. Finally, these compounds will be selected with a Bayesian model using active template compounds, and the compounds from the RNA targeted library match physical and structural parameters of typical RNA targeted compounds and contain important molecular fragments, required for RNA binding
Figure 2. Functions and mechanisms of long non-coding RNAs (lncRNAs). (Shijia, J.; et al. 2019)
RNA Targeted Library Characteristics
- High diversity over the screening set: mean Tanimoto > 0.85
- Favorable physicochemical parameters and solubility requirements
- No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
- Bioactivity and safety confirmed by preclinical studies and clinical trials
- Structural diversity, medicinal activity, and cellular penetration
- Structural document, IC50, and other chemical and biological data are provided
- All compounds are continually updated
- Compound cherry-picking service is provided
BOC Sciences’ RNA targeted library includes a diversity of therapeutically relevant compounds that are carefully selected from our proprietary collection of HTS compounds to meet the parameters listed in the table below.
Table1. The summary of the BOC Sciences RNA Targeted Library characteristics
| Parameter | Average Value |
| MW | 336 |
| Number of H Donors | 1.4 |
| Number of H Acceptors | 3.7 |
| Number of Rotatable Bonds | 4 |
| CLogP | 2.8 |
| PSA | 78 |
What We Deliver
- Delivered within 2 weeks in any customer-preferred format
- Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
- All compounds have a minimum purity of 90% assessed by 1H NMR and HPLC
- Analytical data is provided
BOC Sciences provides professional, rapid and high-quality services of RNA Targeted Library design at competitive prices for global customers. Personalized and customized services of RNA Targeted Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!
References
- Sachse, C.; Echeverri, C. J. Oncology studies using siRNA libraries: the dawn of RNAi-based genomics. Oncogene. 2004. 23(51): 8384-8391.
- Shijia, J.; et al. Long Non-coding RNA DANCR as an Emerging Therapeutic Target in Human Cancers. Frontiers in oncology. 2019. 9: 1225-1225.
