Focused On-demand Library for Ephrin type-B receptor 4

Focused On-demand Libraries - Receptor.AI 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.


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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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.


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
Receptor.AI
 
UPACC
P54760

UPID:
EPHB4_HUMAN

ALTERNATIVE NAMES:
Hepatoma transmembrane kinase; Tyrosine-protein kinase TYRO11

ALTERNATIVE UPACC:
P54760; B5A970; B5A971; B5A972; Q7Z635; Q9BTA5; Q9BXP0

BACKGROUND:
The protein Ephrin type-B receptor 4, known alternatively as Hepatoma transmembrane kinase and Tyrosine-protein kinase TYRO11, is essential for bidirectional signaling in cell-cell interactions. It regulates crucial processes such as cell adhesion, migration, and vascular development, particularly in heart morphogenesis and angiogenesis.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in diseases like Lymphatic malformation 7 and Capillary malformation-arteriovenous malformation 2, Ephrin type-B receptor 4 represents a promising target for drug discovery. Exploring its functions could unveil new therapeutic strategies for these genetic disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8568 of 8789