AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Regulator of G-protein signaling 4

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.

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 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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.

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