Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 stands out due to several important features:
partner
Reaxense
upacc
P53602
UPID:
MVD1_HUMAN
Alternative names:
Mevalonate (diphospho)decarboxylase; Mevalonate pyrophosphate decarboxylase
Alternative UPACC:
P53602; Q53Y65
Background:
Diphosphomevalonate decarboxylase, also known as Mevalonate (diphospho)decarboxylase or Mevalonate pyrophosphate decarboxylase, plays a pivotal role in the mevalonate pathway. This enzyme catalyzes the ATP-dependent decarboxylation of (R)-5-diphosphomevalonate to isopentenyl diphosphate (IPP), a precursor vital for isoprenoids and sterol synthesis.
Therapeutic significance:
The enzyme's association with Porokeratosis 7, multiple types, a disorder characterized by abnormal keratinization leading to neoplasms, underscores its therapeutic potential. Targeting Diphosphomevalonate decarboxylase could pave the way for innovative treatments for this and related keratinization disorders.