Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P25098
UPID:
ARBK1_HUMAN
Alternative names:
G-protein coupled receptor kinase 2
Alternative UPACC:
P25098; B0ZBE1; Q13837; Q6GTT3
Background:
Beta-adrenergic receptor kinase 1, also known as G-protein coupled receptor kinase 2, plays a pivotal role in the regulation of beta-adrenergic and related receptors. By specifically phosphorylating the agonist-occupied form of these receptors, it induces desensitization, thereby modulating receptor sensitivity. This kinase is a key regulator of LPAR1 signaling, influencing receptor signaling through competition with RALA for LPAR1 binding. It also facilitates the Hedgehog signaling pathway by aiding the trafficking and activation of smoothened (SMO) in the cilium.
Therapeutic significance:
Understanding the role of Beta-adrenergic receptor kinase 1 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and receptor regulation highlights its potential as a target for therapeutic intervention in diseases where these pathways are dysregulated.