Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P49915
UPID:
GUAA_HUMAN
Alternative names:
GMP synthetase; Glutamine amidotransferase
Alternative UPACC:
P49915; A8K639; B4DXV7; F8W720
Background:
GMP synthase [glutamine-hydrolyzing], also known as GMP synthetase and Glutamine amidotransferase, plays a pivotal role in nucleotide metabolism by catalyzing the conversion of xanthine monophosphate (XMP) to guanosine monophosphate (GMP). This enzymatic process, essential for purine nucleotide biosynthesis, involves the use of glutamine and ATP to form GMP through an adenyl-XMP intermediate.
Therapeutic significance:
Understanding the role of GMP synthase [glutamine-hydrolyzing] could open doors to potential therapeutic strategies. Its critical function in nucleotide biosynthesis highlights its potential as a target for developing treatments for diseases where purine metabolism is disrupted.