Focused On-demand Library for Neuropeptide S receptor

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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

Q6W5P4

UPID:

NPSR1_HUMAN

Alternative names:

G-protein coupled receptor 154; G-protein coupled receptor PGR14; G-protein coupled receptor for asthma susceptibility

Alternative UPACC:

Q6W5P4; A2RTZ4; Q2XP58; Q56H76; Q56H77; Q56H78; Q6JSL4; Q6JSL5; Q6JSL6; Q6JSL7; Q6JSL8; Q6W5P3; Q6ZMB8

Background:

The Neuropeptide S receptor, known alternatively as G-protein coupled receptor 154, PGR14, and a receptor for asthma susceptibility, plays a pivotal role in human physiology. It functions as a G-protein coupled receptor for neuropeptide S, facilitating the mobilization of intracellular Ca(2+) stores and inhibiting cell growth upon NPS binding. Its involvement in the pathogenesis of asthma and other IgE-mediated diseases highlights its significance in immune response regulation.

Therapeutic significance:

Given its crucial role in the pathogenesis of asthma and other IgE-mediated diseases, targeting the Neuropeptide S receptor presents a promising avenue for developing novel therapeutic strategies. Understanding the receptor's function could lead to breakthrough treatments for asthma, offering relief to millions affected by this condition and related traits.