2D Similarity-based Aspartic Protease Focused Library

Aspartate proteases are a group of protein hydrolases that share the same catalytic apparatus. Members of the aspartate protease family can be found in a variety of organisms, from humans to plants and retroviruses. They play a crucial role in certain disease processes: hypertension, Alzheimer's disease, HIV, malaria, diabetes or fungal infections. The best known sources of aspartic proteases are the mammalian stomach, yeast and fungi, with porcine pepsin being the original type. Aspartate proteases are one of four classes of proteolytic enzymes that are capable of cutting other proteins into smaller pieces. Protein hydrolases are known as peptidases and proteases. In the aspartic proteases, two aspartic acids make up the catalytic mechanism of the enzyme. Unlike other proteases in their protease family, naturally occurring aspartate protease inhibitors are relatively rare. Scientists have studied the detailed mechanisms of protease activity inhibition with the aim of discovering new aspartic protease modulators.

BOC Sciences is capable of designing a screening set based on 2D similarity methods.

Figure 1. Possible roles played by aspartic-type peptidases produced by human pathogenic trypanosomatids. (Santos, L.; et al. 2013)

2D Similarity-based Aspartic Protease Focused Library Design

BOC Sciences has developed this unique library by employing a 2D similarity approach to provide more than 1,400 drug-like screening compounds.

1. Firstly, we collect a reference set of 18,000 biologically active compounds from aspartate protease-related assays through various databases
2. Then, the BOC Sciences HTS compound collection is used to search for compounds similar to the compounds from the reference database using the MDL public key
3. Finally, our teams can produce small-molecule analogs of known aspartate protease inhibitors with experimentally determined activity

Here are drug targets used for the 2D similarity-based aspartic protease focused library:

• Cathepsin D
• Endothiapepsin
• Renin
• Plasmepsin 2
• HIV1 protease
• Gamma-secretase
• Beta-secretase 1

2D Similarity-based Aspartic Protease Focused 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

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 2D Similarity-based Aspartic Protease Focused Library design at competitive prices for global customers. Personalized and customized services of 2D Similarity-based Aspartic Protease Focused 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!