Focused On-demand Library for Angiopoietin-1 receptor

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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
Q02763

UPID:
TIE2_HUMAN

ALTERNATIVE NAMES:
Endothelial tyrosine kinase; Tunica interna endothelial cell kinase; Tyrosine kinase with Ig and EGF homology domains-2; Tyrosine-protein kinase receptor TEK; Tyrosine-protein kinase receptor TIE-2; p140 TEK

ALTERNATIVE UPACC:
Q02763; A8K6W0; B4DH20; B4DHD3; D3DRK5; E7EWI2; Q5TCU2; Q8IV34

BACKGROUND:
Tyrosine-protein kinase receptor TEK, also known as the Angiopoietin-1 receptor, is essential for normal angiogenesis and heart development. It modulates endothelial cell functions, including adhesion, spreading, and the reorganization of the actin cytoskeleton. Its activity is crucial for post-natal hematopoiesis and can either activate or inhibit angiogenesis depending on the context.

THERAPEUTIC SIGNIFICANCE:
The Angiopoietin-1 receptor's association with diseases such as Dominantly inherited venous malformations and congenital Glaucoma 3, E, highlights its therapeutic potential. Exploring its function offers promising avenues for developing targeted therapies for these and related conditions.

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