Focused On-demand Library for NEDD4-binding protein 2

Details

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.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
Q86UW6

UPID:
N4BP2_HUMAN

ALTERNATIVE NAMES:
BCL-3-binding protein

ALTERNATIVE UPACC:
Q86UW6; A0AVR3; Q9NVK2; Q9P2D4

BACKGROUND:
The NEDD4-binding protein 2, alternatively known as BCL-3-binding protein, is implicated in critical cellular functions, including DNA repair and recombination. Its enzymatic activities are vital for the integrity of the genetic material, indicating a significant role in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of NEDD4-binding protein 2 holds promise for novel therapeutic approaches. Given its role in DNA repair, targeting this protein could lead to innovative treatments for conditions resulting from impaired DNA repair processes, offering new avenues in drug discovery.

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