Focused On-demand Library for Platelet glycoprotein Ib beta chain

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.

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

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P13224

UPID:

GP1BB_HUMAN

Alternative names:

Antigen CD42b-beta

Alternative UPACC:

P13224; Q14422; Q8NG40

Background:

The Platelet glycoprotein Ib beta chain, also known as Antigen CD42b-beta, plays a crucial role in hemostasis. It is part of the Gp-Ib complex that binds to von Willebrand factor, facilitating platelet adhesion to damaged vascular sites. This interaction is essential for the formation of platelet plugs, a primary step in the prevention of excessive bleeding.

Therapeutic significance:

Bernard-Soulier syndrome, a rare coagulation disorder, is directly linked to mutations affecting the Platelet glycoprotein Ib beta chain. This association underscores the protein's therapeutic significance, offering a pathway for targeted treatment strategies aimed at correcting or mitigating the effects of these genetic variants.