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

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

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.