Focused On-demand Library for Junctional adhesion molecule B

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

P57087

UPID:

JAM2_HUMAN

Alternative names:

Junctional adhesion molecule 2; Vascular endothelial junction-associated molecule

Alternative UPACC:

P57087; B2R6T9; B4DGT9; Q6UXG6; Q6YNC1

Background:

Junctional adhesion molecule B (JAM-B), also known as Junctional adhesion molecule 2 and Vascular endothelial junction-associated molecule, plays a pivotal role in various cellular processes. It mediates cell-cell interactions, regulates hematopoietic stem cell mobilization, and is crucial in leukocyte extravasation. JAM-B is also involved in spermatogenesis, myogenesis, and acts as an inhibitory cue in neuron myelination.

Therapeutic significance:

JAM-B's involvement in Basal ganglia calcification, idiopathic, 8, autosomal recessive, highlights its potential as a therapeutic target. Understanding the role of Junctional adhesion molecule B could open doors to potential therapeutic strategies.