Focused On-demand Library for Angiopoietin-1 receptor

Focused On-demand Libraries - Reaxense 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

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:

The Angiopoietin-1 receptor, known by names such as Endothelial tyrosine kinase and Tyrosine-protein kinase receptor TEK, plays a pivotal role in angiogenesis and vascular stability. It acts as a cell-surface receptor for ANGPT1, ANGPT2, and ANGPT4, regulating endothelial cell survival, proliferation, and migration. Its function is critical in maintaining vascular quiescence and promoting anti-inflammatory effects by preventing leakage from blood vessels.

Therapeutic significance:

Linked to Dominantly inherited venous malformations and Glaucoma 3, primary congenital, E, the Angiopoietin-1 receptor's involvement in these diseases underscores its potential as a therapeutic target. Understanding its role could open doors to innovative treatments for vascular and ocular disorders.