Aspartic Protease Screening Library

Aspartate proteases include: pepsin isoforms, reverse transcriptase isoforms, and aspartate intramembrane cleavage protease isoforms. The pepsin isoforms of the aspartate protease family require removal of the prepropeptide region and are self-catalyzed by an acidic environment, whereas the renin isoforms are catalyzed by other enzymes. There are actually two aspartic acids that make up the catalytic machinery of the enzyme. The carboxylate group of these two aspartate residues helps to transfer protons from a water molecule acting as the nucleophilic reagent to attack the peptide bond of the peptide or protein to be cleaved. Studying the structure and mechanism of activation of these isoforms can help to investigate the changes of the aspartate protease family in pathological and physiological situations, and provide new research directions in the treatment of certain diseases.

BOC Sciences is capable of designing two screening sets of potential aspartic protease modulators to facilitate small-molecule high-throughput screening for protease-based drug discovery projects.

Figure 1. Classification of proteases. (AndréLuis, S. 2011)

Aspartic Protease Screening Library Design

BOC Sciences has utilized different techniques to design two libraries to screen potential aspartate protease modulators to facilitate small molecule high-throughput screening for protease-based drug discovery programs.

• Aspartic Protease Focused Library by 2D Similarity

A 2D similarity approach is applied to provide a selection of over 1,400 drug-like screening compounds that are small-molecule analogs of known aspartate protease inhibitors with experimentally determined activity

• Aspartic Protease Targeted Library by Receptor-based Virtual Screening

To advance the study of renin function in the treatment of hypertension, our teams design a docking-based virtual screening protocol to identify and select potential renin active site binders. BOC Sciences has prepared a novel library of target-based screening compounds for renin, an important representative of aspartate proteases

Figure 2. Mechanisms of protease inhibition. (AndréLuis, S. 2011)

Aspartic Protease Screening 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 Aspartic Protease Screening Library design at competitive prices for global customers. Personalized and customized services of Aspartic Protease 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!