Focused On-demand Library for Ephrin type-B receptor 1

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

P54762

UPID:

EPHB1_HUMAN

Alternative names:

ELK; EPH tyrosine kinase 2; EPH-like kinase 6; Neuronally-expressed EPH-related tyrosine kinase; Tyrosine-protein kinase receptor EPH-2

Alternative UPACC:

P54762; A8K593; B3KTB2; B5A969; O43569; O95142; O95143; Q0VG87

Background:

Ephrin type-B receptor 1, known by alternative names such as ELK, EPH tyrosine kinase 2, and Tyrosine-protein kinase receptor EPH-2, plays a pivotal role in nervous system development, particularly in axon guidance and synapse formation. It binds with ephrin-B ligands to initiate bidirectional signaling crucial for cell migration, adhesion, and targeted cell migration. This receptor is instrumental in the development and maturation of dendritic spines, contributing significantly to the neural network's complexity.

Therapeutic significance:

Understanding the role of Ephrin type-B receptor 1 could open doors to potential therapeutic strategies. Its involvement in nervous system development and cell migration positions it as a key target for addressing neurological disorders and promoting neural regeneration.