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αIIbβ3 Inhibitors Library

Integrins are an important class of transmembrane glycoprotein (GP) receptors consisting of alpha- and beta-subunits. During platelet activation, integrins are able to change their conformation (inside-out signaling) and outside-in signaling occurs, leading to platelet spreading, platelet aggregation and thrombus formation. Integrin αIIbβ3, the major membrane protein on platelets, mediates platelet aggregation by rapidly transiting from its resting to an activated state, in which it acts as a receptor for ligands that can bridge platelets together. A variety of studies have shown that many monoclonal antibodies, natural products and small peptides have shown inhibition of αIIbβ3 dependent platelet aggregation, and these antagonists have been tested preclinically and entered into large patient trials for the treatment of acute coronary syndromes.

BOC Sciences is dedicated to the rational targeting of integrinαIIbβ3, and has developed a proprietary library of integrin αIIbβ3 integrin.

The inactive conformation of the αIIbβ3 integrin. Figure 1. The inactive conformation of the αIIbβ3 integrin. (Kerkhof, D.; et al. 2021)

Library Design

At BOC Sciences, our experts have established a high-throughput virtual screening method based on molecular docking approach to generate this library:

  1. A receptor-based virtual screening process is created based on X-ray data for the complexes: 2VDM
  2. The compounds in the HTS compound collection have been pre-filtered using BOC Sciences' internal filters and then docked at the active site. Moreover, we have considered a variety of H-bond constraints: TYR122, SER123, ASN215, ASN215, HOH4069, SER225, ASP224. There are Metal ion coordination sites in the β3βI domain in unliganded-closed αIIbβ3 and liganded-open αIIbβ3
  3. Finally, 1,445 potential αIIbβ3 inhibitors selected with computational chemistry and virtual screening techniques are generated successfully

αIIbβ3 Inhibitors Library Characteristics

Schematic overview of inside-out signalling in platelets. Figure 2. Schematic overview of inside-out signalling in platelets. (Kerkhof, D.; et al. 2021)

What We Deliver

Schematic overview of outside-in signalling in platelets. Figure 3. Schematic overview of outside-in signalling in platelets. (Kerkhof, D.; et al. 2021)

BOC Sciences provides professional, rapid and high-quality services of αIIbβ3 Inhibitors Library design at competitive prices for global customers. Personalized and customized services of αIIbβ3 Inhibitors 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

Reference

  1. Kerkhof, D.; et al. Exogenous Integrin αIIbβ3 Inhibitors Revisited: Past, Present and Future Applications. International journal of molecular sciences. 2021. 22(7): 3366.

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Services Based on the Chemical Library Design Platform

Services Based on the Chemical Library Design Platform

BOC Sciences has rich experience in working with global customers in custom library synthesis of compounds and generating small to medium-sized libraries of target compounds. Our knowledge in generating a large number of target molecules in a remarkably shorter time enables quick biological screenings for affinities. With the target properties in mind, we deliver target molecules, by applying our extensive knowledge in drug discovery.

Our mission is to provide clients with a professional chemical library design platform. Empowered by high-quality services and effective research solutions, we are committed to helping customers achieve effective and successful research goals.

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