Focused On-demand Library for Regulator of G-protein signaling 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P49798

UPID:

RGS4_HUMAN

Alternative names:

Alternative UPACC:

P49798; A7XA56; A7XA58; A7XA59; A7YVV7; B1APZ3

Background:

Regulator of G-protein signaling 4 (RGS4) plays a pivotal role in cellular signaling by inhibiting signal transduction through increasing the GTPase activity of G protein alpha subunits. This action drives them into their inactive GDP-bound form, with specific activity on G(z)-alpha being inhibited by phosphorylation and on G(z)-alpha and G(i)-alpha-1 by palmitoylation.

Therapeutic significance:

RGS4 is implicated in schizophrenia, a complex disorder characterized by a spectrum of symptoms including delusions, hallucinations, and cognitive impairment. Understanding the role of RGS4 could open doors to potential therapeutic strategies for managing schizophrenia, highlighting its importance in psychiatric research.