Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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 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 is unique due to several crucial aspects:
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.