AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Relaxin receptor 2

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.

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

Q8WXD0

UPID:

RXFP2_HUMAN

Alternative names:

G-protein coupled receptor 106; G-protein coupled receptor affecting testicular descent; Leucine-rich repeat-containing G-protein coupled receptor 8; Relaxin family peptide receptor 2

Alternative UPACC:

Q8WXD0; B1ALE9; Q3KU23

Background:

Relaxin receptor 2, also known as G-protein coupled receptor 106, plays a pivotal role in human physiology by acting as a receptor for relaxin and possibly Leydig insulin-like peptide (INSL3). Its activation leads to an increase in cAMP levels, mediated by G proteins, highlighting its significance in signal transduction pathways.

Therapeutic significance:

The association of Relaxin receptor 2 with cryptorchidism, a common congenital abnormality affecting 2-5% of male births and linked to increased risks of infertility and testicular cancer, underscores its therapeutic potential. Targeting this receptor could pave the way for innovative treatments for cryptorchidism and its complications.

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