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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8IV63
UPID:
VRK3_HUMAN
Alternative names:
Serine/threonine-protein pseudokinase VRK3; Vaccinia-related kinase 3
Alternative UPACC:
Q8IV63; A6NEG5; A8KA53; Q502Y2; Q9P2V8
Background:
Inactive serine/threonine-protein kinase VRK3, also known as Serine/threonine-protein pseudokinase VRK3 and Vaccinia-related kinase 3, plays a pivotal role in cellular processes by suppressing ERK activity. It achieves this through promoting the phosphatase activity of DUSP3, which specifically dephosphorylates and inactivates ERK in the nucleus.
Therapeutic significance:
Understanding the role of Inactive serine/threonine-protein kinase VRK3 could open doors to potential therapeutic strategies.