AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for G protein-coupled receptor kinase 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P34947

UPID:

GRK5_HUMAN

Alternative names:

G protein-coupled receptor kinase GRK5

Alternative UPACC:

P34947; D3DRD0; Q5T059

Background:

G protein-coupled receptor kinase 5 (GRK5) is a serine/threonine kinase with a pivotal role in phosphorylating activated forms of GPCRs, leading to receptor desensitization, internalization, and down-regulation. It targets a wide array of GPCRs including adrenergic, muscarinic acetylcholine, dopamine, and opioid receptors. Beyond GPCRs, GRK5 phosphorylates substrates like TP53/p53, HDAC5, and ARRB1, influencing apoptosis, transcription regulation, and MAPK signaling.

Therapeutic significance:

Understanding the role of G protein-coupled receptor kinase 5 could open doors to potential therapeutic strategies.

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