AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Beta-adrenergic receptor kinase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.

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