Protein-protein interactions (PPI) play a key role in life processes. Studies have shown that abnormal PPIs are associated with various diseases, including cancer, infectious diseases and neurodegenerative diseases. Therefore, targeting PPIs is a direction for the treatment of diseases and a useful strategy for the development of new drugs. Nowadays, classical small molecule drug discovery approaches have focused on protein-ligand interactions, such as enzymes, ion channels or receptors, because these proteins often contain well-defined ligand binding sites that small molecules can interact with. The biological activity of any given molecule essentially depends on the 3D shape of its PPI library. Moreover, the molecular shape diversity of a small molecule library is the most fundamental indicator of overall functional diversity.
With this in mind, BOC Sciences has designed a proprietary eccentric PPI library to provide a variety of structurally diverse molecular compounds.
Figure 1. In DOS, libraries of structurally diverse compounds are derived from common intermediates. (Tzakos, A. G.; et al. 2011)
Library Design
When designing our eccentric PPI library, we take the following principles into consideration: diversity, 3D-shape, escape from flatland, drug-likeness, natural product likeness and targeted diversity
At BOC Sciences, there are six principle components of structural diversity that have been consistently identified in the literature:
- Scaffold diversity: Presence of a range of different molecular scaffolds
- Functional group diversity: Variation in the functional groups
- Appendage diversity (substituent or building-block diversity): Variation in structural parts around the common scaffold
- Stereochemical diversity: Variation in the orientation of potential macromolecular interaction elements
- Conformational diversity: Variation of possible conformation of the molecule
- Chain diversity: Presence of different chains (especially if the scaffold is not uniquely identified)
Eccentric PPI Library Characteristics
- 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
- All of these compounds with Tanimoto index ≥ 0.85
- Compound cherry-picking service is provided
Figure 2. Several three dimensional structures of protein-protein interactions have been targeted by DOS. (Tzakos, A. G.; et al. 2011)
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 Eccentric PPI Library design at competitive prices for global customers. Personalized and customized services of Eccentric PPI 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
- Tzakos, A. G.; et al. Targeting Oncogenic Protein-Protein Interactions by Diversity Oriented Synthesis and Combinatorial Chemistry Approaches. Molecules. 2011. 16(6): 4408-4427.
