Focused On-demand Library for Centrosomal protein of 85 kDa-like

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q5SZL2

UPID:
CE85L_HUMAN

ALTERNATIVE NAMES:
Serologically defined breast cancer antigen NY-BR-15

ALTERNATIVE UPACC:
Q5SZL2; A1A4E1; A2A3P2; A2IDE5; F8W6J2; G3V0H3; Q2TAM2; Q5T323; Q7Z5K7; Q9H289

BACKGROUND:
The Centrosomal protein of 85 kDa-like, alternatively named serologically defined breast cancer antigen NY-BR-15, is essential for neuronal cell migration. Its role is crucial in the proper development and organization of the brain's cortical layers.

THERAPEUTIC SIGNIFICANCE:
Given its association with Lissencephaly 10, a developmental brain disorder, insights into Centrosomal protein of 85 kDa-like function could lead to innovative therapeutic approaches. Exploring how this protein influences neuronal migration may provide keys to unlocking treatments for related neurological conditions.

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