Focused On-demand Library for Uracil nucleotide/cysteinyl leukotriene receptor

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of 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

Q13304

UPID:

GPR17_HUMAN

Alternative names:

G-protein coupled receptor 17; P2Y-like receptor; R12

Alternative UPACC:

Q13304; A8K9L0; B2R9X0; Q8N5S7; Q9UDZ6; Q9UE21

Background:

The Uracil nucleotide/cysteinyl leukotriene receptor, known by its alternative names G-protein coupled receptor 17, P2Y-like receptor, and R12, plays a pivotal role in cellular communication. It uniquely responds to dual specificity ligands, including uracil nucleotides and cysteinyl leukotrienes (CysLTs), signaling through G(i) proteins and inhibiting adenylyl cyclase. This receptor's involvement in mediating brain damage following ischemia highlights its critical function in the nervous system.

Therapeutic significance:

Understanding the role of the Uracil nucleotide/cysteinyl leukotriene receptor could open doors to potential therapeutic strategies, particularly in mitigating brain damage associated with ischemic events. Its unique dual specificity makes it a promising target for drug discovery, aiming to modulate its signaling pathways for therapeutic benefits.