Focused On-demand Library for Ephrin-B1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P98172

UPID:

EFNB1_HUMAN

Alternative names:

EFL-3; ELK ligand; EPH-related receptor tyrosine kinase ligand 2

Alternative UPACC:

P98172; D3DVU0

Background:

Ephrin-B1, known by alternative names such as EFL-3 and ELK ligand, is a pivotal cell surface transmembrane ligand for Eph receptors. These receptors are instrumental in neuronal, vascular, and epithelial development, facilitating crucial processes like migration, repulsion, and adhesion. Ephrin-B1's interaction with Eph receptors, especially EPHB1/ELK, initiates bidirectional signaling critical for cell positioning and orientation.

Therapeutic significance:

Ephrin-B1's involvement in Craniofrontonasal syndrome, a genetic disorder characterized by distinct craniofacial, digital, and joint anomalies, underscores its clinical relevance. Understanding the role of Ephrin-B1 could open doors to potential therapeutic strategies for managing and treating this syndrome.