Focused On-demand Library for Angiopoietin-related protein 3

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

Q9Y5C1

UPID:

ANGL3_HUMAN

Alternative names:

Angiopoietin-5; Angiopoietin-like protein 3

Alternative UPACC:

Q9Y5C1; A0JLS0; B1ALJ0; B2RCW1

Background:

Angiopoietin-related protein 3, also known as Angiopoietin-5 or Angiopoietin-like protein 3, plays a crucial role in lipid and glucose metabolism, angiogenesis, and the regulation of hematopoietic stem cell activity. It influences plasma triglycerides levels, LDL-cholesterol, and HDL-cholesterol through various mechanisms, including the inhibition of lipoprotein lipase (LPL) activity and endothelial lipase.

Therapeutic significance:

Given its involvement in familial Hypobetalipoproteinemia, 2, a lipid metabolism disorder, understanding the role of Angiopoietin-related protein 3 could open doors to potential therapeutic strategies for managing lipid levels and preventing cardiovascular diseases.