Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key 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.