Cysteine Protease Focused Library

Cysteine proteases are one of the most biologically important protein clusters involved in multiple cellular pathways. Their involvement in a variety of processes makes them promising drug targets for various diseases. Inhibitors of proteases and related enzymes have a wide range of applications in medicine and other fields. Protease inhibitors typically mimic the peptide substrate of the target enzyme and feature specialized moieties that interacts specifically with the catalytic residue in the active center. Cysteine proteases are generally targeted with compounds containing electrophilic elastomers (such as epoxides or vinyl sulfonates) that interact specifically with catalytic residues in the active center to mimic the peptide substrate of the target enzyme.

BOC Sciences has designed two screening sets of potential cysteine protease modulators.

Figure 1. Tentative model summarizing known and hypothetical functions of papain-like cysteine proteases (PLCPs) during plant immune-signaling. (Misas-Villamil, J, C.; et al. 2016)

Cysteine Protease Focused Library Design

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

• Cysteine Protease Focused Library by 2D Similarity

We have applied a 2D similarity approach to provide a selection of over 3,700 drug-like screening compounds that are small-molecule analogs of known cysteine protease inhibitors with experimentally determined activity

• Cysteine Protease Targeted Library by Receptor-based Virtual Screening

To find attractive protease targets for anti-osteoporosis drug discovery and development, our teams have developed a docking-based virtual screening approach to identify and select compounds with potential cathepsin K inhibitory activity

Figure 2. Schematic representation of papain-like cysteine proteases (PLCPs) found in different plants. (Misas-Villamil, J, C.; et al. 2016)

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