Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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
Receptor.AI
 
UPACC
P02749

UPID:
APOH_HUMAN

ALTERNATIVE NAMES:
APC inhibitor; Activated protein C-binding protein; Anticardiolipin cofactor; Apolipoprotein H; Beta-2-glycoprotein I

ALTERNATIVE UPACC:
P02749; B2R9M3; Q9UCN7

BACKGROUND:
Beta-2-glycoprotein 1, alternatively named APC inhibitor or Beta-2-glycoprotein I, is integral to the body's hemostatic system. It interacts with negatively charged substances such as dextran sulfate and heparin, playing a key role in preventing unnecessary blood clot formation. This protein's function is critical in protecting the body from the adverse effects of uncontrolled blood coagulation, highlighting its potential as a target for therapeutic intervention.

THERAPEUTIC SIGNIFICANCE:
The exploration of Beta-2-glycoprotein 1's function offers promising avenues for the development of novel therapeutic approaches. Given its pivotal role in blood coagulation, research into this protein could lead to breakthroughs in treating and managing coagulation disorders and enhancing cardiovascular health.

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