Focused On-demand Library for Integrin alpha-IIb

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.

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

P08514

UPID:

ITA2B_HUMAN

Alternative names:

GPalpha IIb; Platelet membrane glycoprotein IIb

Alternative UPACC:

P08514; B2RCY8; O95366; Q14443; Q17R67

Background:

Integrin alpha-IIb, also known as GPalpha IIb and Platelet membrane glycoprotein IIb, plays a pivotal role in hemostasis by mediating platelet aggregation. This protein acts as a receptor for various ligands including fibronectin, fibrinogen, and vitronectin, recognizing specific sequences that facilitate platelet interactions and clot formation.

Therapeutic significance:

Mutations in Integrin alpha-IIb are linked to Glanzmann thrombasthenia 1, characterized by impaired platelet aggregation, and to a form of congenital macrothrombocytopenia, affecting platelet production. Targeting the pathways involving Integrin alpha-IIb offers promising avenues for treating these platelet disorders.