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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P12268
UPID:
IMDH2_HUMAN
Alternative names:
Inosine-5'-monophosphate dehydrogenase type II
Alternative UPACC:
P12268; Q6LEF3
Background:
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) catalyzes the pivotal step in guanine nucleotide synthesis, impacting cell growth regulation. Its potential in RNA/DNA metabolism and tumor progression underscores its biological significance.
Therapeutic significance:
Understanding the role of Inosine-5'-monophosphate dehydrogenase 2 could open doors to potential therapeutic strategies.