AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Regulator of G-protein signaling 17

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

Q9UGC6

UPID:

RGS17_HUMAN

Alternative names:

-

Alternative UPACC:

Q9UGC6; Q5TF49; Q8TD61; Q9UJS8

Background:

Regulator of G-protein signaling 17 (RGS17) plays a pivotal role in modulating G protein-coupled receptor (GPCR) signaling pathways. It specifically regulates signaling via muscarinic acetylcholine receptor CHRM2 and dopamine receptor DRD2 by increasing the GTPase activity of G protein alpha subunits, leading them into their inactive GDP-bound form. This protein has a selective affinity for GNAZ and GNAI2 subunits, enhancing their GTPase activity and modulating their signaling activities. Additionally, RGS17 negatively impacts mu-opioid receptor-mediated G-protein activation.

Therapeutic significance:

Understanding the role of Regulator of G-protein signaling 17 could open doors to potential therapeutic strategies, particularly in disorders related to GPCR signaling such as neurological diseases and addiction.

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