Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q9P2T1
UPID:
GMPR2_HUMAN
Alternative names:
Guanosine 5'-monophosphate oxidoreductase 2
Alternative UPACC:
Q9P2T1; D3DS66; Q567T0; Q6IAJ8; Q86T14
Background:
GMP reductase 2, also known as Guanosine 5'-monophosphate oxidoreductase 2, plays a crucial role in nucleotide metabolism by catalyzing the NADPH-dependent deamination of GMP to IMP. This process is vital for the conversion of G to A nucleotides and maintaining the intracellular balance of these nucleotides. Its involvement in cellular differentiation highlights its importance in biological systems.
Therapeutic significance:
Understanding the role of GMP reductase 2 could open doors to potential therapeutic strategies. Its pivotal function in nucleotide metabolism and cellular differentiation underscores its potential as a target for drug discovery efforts aimed at modulating these fundamental processes.