Focused On-demand Library for G protein-coupled receptor kinase 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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 sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P32298

UPID:

GRK4_HUMAN

Alternative names:

G protein-coupled receptor kinase GRK4; ITI1

Alternative UPACC:

P32298; O00641; O00642; Q13293; Q13294; Q13295; Q14453; Q14725; Q15313; Q15314; Q15315; Q15316; Q17RH6; Q53EQ8

Background:

G protein-coupled receptor kinase 4 (GRK4), also known as ITI1, plays a pivotal role in cellular signaling by specifically phosphorylating the activated forms of G protein-coupled receptors (GPCRs). Among its isoforms, GRK4-alpha is unique in its ability to phosphorylate rhodopsin and is regulated by calmodulin, a distinction not shared by its other isoforms. GRK4's activity extends to the phosphorylation of key receptors such as DRD3 and ADRB2, highlighting its broad impact on receptor-mediated signaling pathways.

Therapeutic significance:

Understanding the role of G protein-coupled receptor kinase 4 could open doors to potential therapeutic strategies. Its involvement in the precise regulation of GPCRs, crucial for numerous physiological processes, positions GRK4 as a promising target for drug discovery efforts aimed at modulating receptor functions in various disease states.