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.
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 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 high-tech, dedicated method is applied to construct targeted 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
Q15126
UPID:
PMVK_HUMAN
Alternative names:
-
Alternative UPACC:
Q15126; Q5TZW9
Background:
Phosphomevalonate kinase plays a pivotal role in the mevalonate pathway, catalyzing the ATP-dependent phosphorylation of mevalonate 5-phosphate into mevalonate diphosphate. This enzyme is crucial for the biosynthesis of isopentenyl diphosphate, a precursor for polyisoprenoid metabolites.
Therapeutic significance:
Linked to Porokeratosis 1, multiple types, a disorder marked by keratinization anomalies leading to neoplasms, understanding Phosphomevalonate kinase's function could unveil new therapeutic avenues.