Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P35626
UPID:
ARBK2_HUMAN
Alternative names:
G-protein-coupled receptor kinase 3
Alternative UPACC:
P35626; Q9UGW9
Background:
Beta-adrenergic receptor kinase 2, also known as G-protein-coupled receptor kinase 3, plays a pivotal role in the regulation of cardiac function by specifically phosphorylating the agonist-occupied form of beta-adrenergic and closely related receptors. This kinase is crucial for the desensitization of receptor signaling, ensuring that cellular responses are appropriately modulated in the presence of external stimuli.
Therapeutic significance:
Understanding the role of Beta-adrenergic receptor kinase 2 could open doors to potential therapeutic strategies. Its critical function in heart rate and contractility regulation positions it as a promising target for the development of treatments for heart diseases and disorders related to receptor desensitization.