Factor Xa Serine Protease Targeted Library

Factor Xa serine protease (FXA) is an activated form of the coagulation enzyme, factor X. It produces thrombin by cleaving two sites in prothrombin, an action that is further facilitated by binding to the activator F, which forms the prothrombinase complex. The common cleavage sites for FXA are located after an arginine residue in the Ile-Glu/Asp-Gly-Arg sequence. Occasionally, factor Xa protease may also cleave at other alkaline amino acid residues due to changes in protein substrate conformation. Among these sequenced amino acid residues, the most common secondary recognition site, suggesting that these proteins are in a partially unfolded state. The factor Xa protease does not cleave recognition sequences followed by proline or arginine recognition sites. This protease is one of the most common targets in anticoagulation therapy that attempts to inhibit its activity using small molecules such as heparin and warfarin.

BOC Sciences can design and synthesize a factor Xa serine protease targeted library to offer 1,600 potential FXA inhibitors.

Figure 1. Simplified schematic for the blood coagulation cascade. (Perzborn, E.; et al. 2011)

Library Design

BOC Sciences has designed a receptor-based library of potential factor Xa serine protease inhibitors by employing docking approach and molecular fitting method.

1. A receptor-based virtual screening process is developed based on X-ray data for the complexes: 1EZQ, 1XKB and 1XKA
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, 1,600 potential factor Xa serine protease inhibitors can be selected with computational chemistry and virtual screening techniques are generated successfully

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