Focused On-demand Library for Poly(ADP-ribose) glycohydrolase

Focused On-demand Libraries - Reaxense 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.

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 our partner 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

upacc

Q86W56

UPID:

PARG_HUMAN

Alternative names:

Alternative UPACC:

Q86W56; A5YBK3; B2RC24; B4DIU5; B4DYR4; I6RUV3; Q6E4P6; Q6E4P7; Q7Z742; Q9Y4W7

Background:

Poly(ADP-ribose) glycohydrolase, identified by the accession number Q86W56, plays a crucial role in cellular processes by degrading poly(ADP-ribose) through hydrolyzing ribose-ribose bonds. This enzyme functions as both an endo- and exoglycosidase, releasing poly(ADP-ribose) of varying lengths and ADP-ribose monomers. It is essential in preventing the accumulation of poly(ADP-ribose) under replicative stress and facilitates retinoid acid-dependent gene transactivation by modulating the chromatin state.

Therapeutic significance:

Understanding the role of Poly(ADP-ribose) glycohydrolase could open doors to potential therapeutic strategies by targeting its unique enzymatic activities for disease intervention.