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

Details

Focused On-demand Libraries - Receptor.AI Collaboration


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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
P25098

UPID:
ARBK1_HUMAN

ALTERNATIVE NAMES:
G-protein coupled receptor kinase 2

ALTERNATIVE UPACC:
P25098; B0ZBE1; Q13837; Q6GTT3

BACKGROUND:
The protein Beta-adrenergic receptor kinase 1, alternatively named G-protein coupled receptor kinase 2, is instrumental in desensitizing beta-adrenergic and closely related receptors. It achieves this by phosphorylating the receptors when they are occupied by an agonist. Beyond receptor desensitization, it competes with RALA for LPAR1 binding, affecting LPAR1 and LPAR2 signaling. Additionally, it supports the Hedgehog signaling pathway by enhancing smoothened (SMO) activity and is involved in the regulation of airway smooth muscle response to stimuli.

THERAPEUTIC SIGNIFICANCE:
The exploration of Beta-adrenergic receptor kinase 1's functions offers promising avenues for drug discovery. Given its central role in receptor desensitization and signaling pathways, targeting this kinase could lead to innovative treatments for conditions linked to these biological processes.

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