Focused On-demand Library for Neural cell adhesion molecule L1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is 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.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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
Receptor.AI
 
UPACC
P32004

UPID:
L1CAM_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P32004; A0AV65; A4ZYW4; B2RMU7; G3XAF4; Q8TA87

BACKGROUND:
Neural cell adhesion molecule L1, with the recommended name and key involvement in the dynamics of cell adhesion and signal transduction at tyrosine kinase receptors, is crucial during brain development for neuronal migration and synapse formation. It also maintains neuronal structure and function in the adult brain.

THERAPEUTIC SIGNIFICANCE:
Linked to X-linked congenital hydrocephalus, MASA syndrome, and agenesis of the corpus callosum, the L1CAM gene's mutations underscore the protein's therapeutic significance. Targeting Neural cell adhesion molecule L1's pathway offers a promising avenue for treating these neurodevelopmental disorders.

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