AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Probable G-protein coupled receptor 21

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

Q99679

UPID:

GPR21_HUMAN

Alternative names:

-

Alternative UPACC:

Q99679; B2R8W9; Q6NXU2

Background:

The Probable G-protein coupled receptor 21, identified by the accession number Q99679, is classified as an orphan receptor. This categorization indicates that its endogenous ligand has not yet been identified, making it a subject of intense research interest. G-protein coupled receptors (GPCRs) play pivotal roles in cellular communication, responding to a variety of external stimuli to trigger intracellular signaling pathways.

Therapeutic significance:

Understanding the role of Probable G-protein coupled receptor 21 could open doors to potential therapeutic strategies. Its classification as an orphan receptor presents a unique opportunity for drug discovery, as elucidating its function and ligand interactions could lead to novel treatments for a range of diseases.

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