Focused On-demand Library for Integrin alpha-IIb

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P08514

UPID:
ITA2B_HUMAN

ALTERNATIVE NAMES:
GPalpha IIb; Platelet membrane glycoprotein IIb

ALTERNATIVE UPACC:
P08514; B2RCY8; O95366; Q14443; Q17R67

BACKGROUND:
The Integrin alpha-IIb/beta-3 complex is crucial for platelet adhesion and aggregation, serving as a receptor for multiple ligands. It enables platelet-platelet interactions through binding of soluble fibrinogen, a key step in the formation of a platelet plug that seals endothelial damage.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Integrin alpha-IIb could open doors to potential therapeutic strategies for diseases such as Glanzmann thrombasthenia 1 and congenital macrothrombocytopenia, where the protein's function is compromised. Developing drugs that modulate Integrin alpha-IIb activity could provide new treatments for these bleeding disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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