Focused On-demand Library for Integrin beta-3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P05106

UPID:

ITB3_HUMAN

Alternative names:

Platelet membrane glycoprotein IIIa

Alternative UPACC:

P05106; A0PJW2; D3DXJ8; O15495; Q12806; Q13413; Q14648; Q16499

Background:

Integrin beta-3, also known as Platelet membrane glycoprotein IIIa, plays a pivotal role in mediating cell adhesion and signaling across various biological processes. It binds to a wide array of ligands, including fibronectin, fibrinogen, and vitronectin, facilitating critical interactions in platelet aggregation, wound healing, and immune response. Its ability to recognize specific sequences in its ligands underscores its importance in cellular communication and adhesion.

Therapeutic significance:

Integrin beta-3's involvement in Glanzmann thrombasthenia and platelet-type bleeding disorders highlights its therapeutic potential. Understanding its role in platelet aggregation and clot formation opens doors to developing targeted treatments for these bleeding disorders, offering hope for patients with these challenging conditions.