Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Q9Y5C1

UPID:
ANGL3_HUMAN

ALTERNATIVE NAMES:
Angiopoietin-5; Angiopoietin-like protein 3

ALTERNATIVE UPACC:
Q9Y5C1; A0JLS0; B1ALJ0; B2RCW1

BACKGROUND:
Angiopoietin-related protein 3, with aliases Angiopoietin-5 and Angiopoietin-like protein 3, is integral to regulating lipid and glucose metabolism, angiogenesis, and hematopoietic stem cell function. It modulates plasma levels of triglycerides, LDL, and HDL cholesterol by affecting lipoprotein lipase and endothelial lipase activities, and plays a role in energy substrate trafficking.

THERAPEUTIC SIGNIFICANCE:
Angiopoietin-related protein 3's role in familial Hypobetalipoproteinemia, 2, underscores its potential as a target for therapeutic intervention in lipid disorders and cardiovascular disease prevention.

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