Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
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.