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.
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.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q7Z695
UPID:
ADCK2_HUMAN
Alternative names:
-
Alternative UPACC:
Q7Z695; Q96CN6; Q9Y6T5
Background:
The Uncharacterized aarF domain-containing protein kinase 2, with accession number Q7Z695, represents a frontier in protein research. Its potential kinase activity, targeting Ser, Thr, or Tyr residues, hints at a pivotal role in phosphorylation processes, a fundamental mechanism in cellular signaling and regulation.
Therapeutic significance:
Understanding the role of Uncharacterized aarF domain-containing protein kinase 2 could open doors to potential therapeutic strategies. Its elucidation stands as a beacon for novel drug discovery, promising advancements in treating diseases through targeted molecular interventions.