Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


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


 

Fig. 1. The screening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.


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
Q86YC2

UPID:
PALB2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q86YC2; A6NIE1; Q8N7Y6; Q8ND31; Q9H6W1

BACKGROUND:
The Partner and localizer of BRCA2 is essential for DNA repair, acting as a scaffold for the assembly of the BRCA1-PALB2-BRCA2 complex. It binds DNA with high affinity, particularly at D loop structures, facilitating the repair of DNA breaks through homologous recombination. Its role in stabilizing BRCA2 underscores its importance in maintaining genomic integrity.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of the Partner and localizer of BRCA2 could open doors to potential therapeutic strategies. Its involvement in key DNA repair pathways and association with several cancers highlights its potential as a target for drug development, aiming to enhance the body's natural repair mechanisms to combat genetic diseases.

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