Chymotrypsin Serine Protease Targeted Library

Chymotrypsin is a serine protease from the PA clan superfamily present in the digestive system of many vertebrates. Trypsin is formed in the small intestine when its proenzyme form, the trypsinogen produced by the pancreas, is activated. Chymotrypsin is then secreted into the digestive system via the pancreas as the inactive precursor chymotrypsinogen. In vivo, chymotrypsin is a proteolytic enzyme (serine protease) that acts in the digestive system of many organisms, specifically targeting the side-chains of aromatic amino acid residues. Trypsin can facilitate the conversion of chymotrypsinogen into its active, and the main substrate of chymotrypsinare peptide bonds where the amino acid N-terminal to the bond is a tryptophan, tyrosine, phenylalanine or leucine.

BOC Sciences can provide about 1,100 potential chymotrypsin serine protease inhibitors by developing a chymotrypsin serine protease targeted library.

Figure 1. Serine proteases mechanisms of action. (Coppini, R.; et al. 2019)

Library Design

BOC Sciences has established a high-throughput virtual screening technique based on docking approach and molecular fitting method to generate this library:

1. A receptor-based virtual screening process is developed based on X-ray data for the complexes: H4F, 1BMA
2. The compounds in the HTS compound collection have been pre-filtered using BOC Sciences' internal filters and then docked at the active site
3. Finally, 1,100 potential chymotrypsin serine protease inhibitors can be selected with computational chemistry and virtual screening techniques are generated successfully

Chymotrypsin Serine Protease Targeted 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

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 Chymotrypsin Serine Protease Targeted Library design at competitive prices for global customers. Personalized and customized services of Chymotrypsin Serine Protease Targeted 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!