Focused On-demand Library for Platelet glycoprotein IX

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.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

P14770

UPID:

GPIX_HUMAN

Alternative names:

Glycoprotein 9

Alternative UPACC:

P14770; Q14445; Q8N1D1; Q92525

Background:

Platelet glycoprotein IX, also known as Glycoprotein 9, is a crucial component of the GPIb-V-IX complex, serving as the von Willebrand factor (vWF) receptor. This complex plays a pivotal role in mediating vWF-dependent platelet adhesion to blood vessels, an essential process in hemostasis and the prevention of excessive bleeding.

Therapeutic significance:

Bernard-Soulier syndrome, a coagulation disorder characterized by prolonged bleeding time, large platelets, and thrombocytopenia, is directly linked to mutations affecting Platelet glycoprotein IX. Understanding the role of this protein could lead to targeted therapies for this syndrome, emphasizing its potential in therapeutic strategies.