AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Angiopoietin-1 receptor

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening 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.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.

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