Ligases are important enzymes in living organisms and can catalyze reactions of linking two macromolecules by creating new chemical bonds. Ligases enable to join two molecules into a single molecule or join the first and last parts of a molecule through a catalyze reaction. These proteins are involved in a diversity of cellular pathways such as protein trafficking, subcellular localization, innate immune response, viral infection, DNA damage response and apoptosis. In addition, the ligase-system also plays an important role in tumorigenesis and cancer development.
To meet the growing demand for new structures for drug discovery projects, BOC Sciences has designed its dedicated ligase focused screening library to generate small-molecule analogs of known ligase inhibitors with high bioactivity for the application in high-throughput screening (HTS) and high-content screening (HCS) programs.
Figure 1. Ligase Detection Reaction (LDR). (Lohman, G)
Library Design
- Firstly, our scientists apply a series of reliable databases to obtain a reference set of 20,000 compounds with known ligase blocking activity
- These compounds have been pre-filtered to retain only those with moderate and high activity against ligase targets
- Then, we have performed a further filtering performance to narrow down the 12,000 active entries on 10,000 unique ligase modulators
- Finally, BOC Sciences supports a 2D fingerprint similarity search of the reference set against the HTS compounds collection
The search is carried out against the following ligase enzyme targets:
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Ligase Focused Screening Library Characteristics
- No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
- The combination of ligand-based and structure-based approaches used to design this antiviral library provides cross-validation and a higher degree of accuracy
- All PAIN and reactive compounds are excluded from selection by internal filter applications
- IC50, Ki ,etc less than 10 μM, inhibition >25%
- Confirmed bioactivity and safety via preclinical studies and clinical trials
- All of the compounds have been selected by ligand efficacy and predicted binding mode
- Structural diversity, significant efficacy, and cellular penetration
- Structural document, IC50, and other chemical and biological data are provided
- Tanimoto index ≥ 0.85
- All compounds are continually updated
- Compound cherry-picking service is provided
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 Ligase Focused Screening Library design at competitive prices for global customers. Personalized and customized services of Ligase Focused Screening 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!
Reference
- Lohman, G. Substrate specificity and mismatch discrimination in DNA ligases. New England BioLabs.
