Focused On-demand Library for Exonuclease V

Details

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused 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.


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
Q9H790

UPID:
EXO5_HUMAN

ALTERNATIVE NAMES:
Defects in morphology protein 1 homolog

ALTERNATIVE UPACC:
Q9H790; D3DPV4; Q5SWM7; Q5SWM8; Q5SWM9; Q5SWN0; Q5SWN1; Q8WTW9

BACKGROUND:
The protein Exonuclease V, with alternative names such as Defects in morphology protein 1 homolog, is integral to the DNA repair pathway. It possesses unique exonuclease activities, capable of processing single-stranded DNA damage resulting from UV exposure and interstrand cross-links. Exonuclease V's ability to slide along ssDNA and selectively engage in 5'-3' and 3'-5' exonuclease activities underscores its critical function in the cellular response to DNA damage.

THERAPEUTIC SIGNIFICANCE:
The exploration of Exonuclease V's function offers a promising avenue for developing novel therapeutic interventions. Given its central role in the DNA repair process, targeting Exonuclease V could lead to breakthroughs in treatments for diseases linked to DNA damage and genomic instability.

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