Focused On-demand Library for Secreted Ly-6/uPAR-related protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P55000

UPID:

SLUR1_HUMAN

Alternative names:

ARS component B; ARS(component B)-81/S; Anti-neoplastic urinary protein

Alternative UPACC:

P55000; Q53YJ6; Q6PUA6; Q92483

Background:

Secreted Ly-6/uPAR-related protein 1, also known as ARS component B, plays a pivotal role in skin differentiation and integrity. It exhibits antitumor activity and is a marker of late skin differentiation. Its functions include down-regulation of keratinocyte proliferation, modulation of nicotinic acetylcholine receptors, and involvement in T cell Ca(2+) signaling and corneal immunomodulation. It potentially acts as a scavenger receptor for PLAU, influencing cell migration and proliferation.

Therapeutic significance:

Secreted Ly-6/uPAR-related protein 1's association with Mal de Meleda, a rare skin disorder, underscores its clinical relevance. Understanding its role could pave the way for innovative treatments for skin diseases and cancer, highlighting its therapeutic potential.