Focused On-demand Library for Neuronal cell adhesion molecule

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted 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.

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

Q92823

UPID:

NRCAM_HUMAN

Alternative names:

Neuronal surface protein Bravo; NgCAM-related cell adhesion molecule

Alternative UPACC:

Q92823; A4D0S3; E9PDA4; O15051; O15179; Q14BM2; Q9UHI3; Q9UHI4

Background:

The Neuronal cell adhesion molecule, also known as Neuronal surface protein Bravo or NgCAM-related cell adhesion molecule, plays a pivotal role in the nervous system. It is essential for normal brain and peripheral nervous system responses to cell-cell contacts, facilitating neurite outgrowth, mediating Schwann cell and axon interactions, and contributing to the formation and maintenance of nodes of Ranvier. These nodes are critical for action potential propagation along myelinated axons.

Therapeutic significance:

Given its involvement in neurodevelopmental disorder with neuromuscular and skeletal abnormalities, understanding the role of Neuronal cell adhesion molecule could open doors to potential therapeutic strategies. Its function in cell adhesion and node of Ranvier formation highlights its potential as a target in addressing neurological disorders.