Focused On-demand Library for Neuropeptide Y receptor type 4

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 top-notch dedicated system is used to design specialised 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P50391

UPID:

NPY4R_HUMAN

Alternative names:

Pancreatic polypeptide receptor 1

Alternative UPACC:

P50391; Q13456; Q5ISU3; Q5T2X9; Q6FH06

Background:

Neuropeptide Y receptor type 4, also known as Pancreatic polypeptide receptor 1, encoded by the gene with accession number P50391, plays a pivotal role in the biological system. It functions as a G protein-coupled receptor for a range of polypeptides including PPY, NPY, and PYY, exhibiting a negative coupling to cAMP. This receptor demonstrates a specific affinity hierarchy for its ligands, indicating a finely tuned regulatory mechanism in physiological processes.

Therapeutic significance:

Understanding the role of Neuropeptide Y receptor type 4 could open doors to potential therapeutic strategies. Its intricate involvement in signaling pathways offers a promising avenue for the development of novel treatments targeting metabolic and gastrointestinal disorders.