Thrombin Serine Protease Targeted Library

Thrombin is a Na-activated, allosteric serine protease that plays an opposite functional role in blood coagulation. As a protein involved in catalysis at many steps of the coagulation cascade, thrombin activates fibrinogen, converts it to a form that assembles into insoluble fibrin, and further enhances the fibrin strands by activating factor XIII to promote covalent bonding between lysine and glutamine side-chains. Binding of Na is the main driving force behind the procoagulant, prothrombotic and signaling functions of the enzyme. Thrombin can activate platelets by cleaving the N-terminus of protease-activated receptor in their membrane, further promoting the coagulation process. Moreover, thrombin is the key arbiter of this balance due to its dual role and therefore has received utmost attention in structure-function studies and as a target for anticoagulation therapy involved in many diseases associated with coagulation, bleeding, vasoconstriction, etc.

BOC Sciences can provide about 1,300 potential thrombin inhibitors by developing a reliable thrombin serine protease targeted library.

Figure 1. The role of thrombin in blood coagulation and protein C pathways. (Ma, L.; Dorling, A. 2012)

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: 1ETT, 1ETS, 1ETR
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 thrombin serine protease inhibitors can be selected with computational chemistry and virtual screening techniques are generated successfully

Thrombin 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

Figure 2. PAR-1-S1P receptor-mediated signalling in the vascular endothelium. (Ma, L.; Dorling, A. 2012)

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