Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
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.