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.
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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P36959
UPID:
GMPR1_HUMAN
Alternative names:
Guanosine 5'-monophosphate oxidoreductase 1
Alternative UPACC:
P36959; Q96HQ6
Background:
GMP reductase 1, also known as Guanosine 5'-monophosphate oxidoreductase 1, plays a crucial role in nucleotide metabolism by catalyzing the NADPH-dependent deamination of GMP to IMP. This enzymatic activity is essential for the conversion of nucleobase, nucleoside, and nucleotide derivatives of guanine to adenine nucleotides, ensuring the maintenance of the intracellular balance of adenine and guanine nucleotides.
Therapeutic significance:
Understanding the role of GMP reductase 1 could open doors to potential therapeutic strategies. Its pivotal function in nucleotide metabolism makes it a potential target for interventions aimed at disorders related to nucleotide imbalance.