Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
Our top-notch dedicated system is used to design specialised libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Key features that set our library apart include:
partner
Reaxense
upacc
P25929
UPID:
NPY1R_HUMAN
Alternative names:
-
Alternative UPACC:
P25929; B2R6H5
Background:
Neuropeptide Y receptor type 1 (NPY1R) serves as a critical receptor for neuropeptide Y and peptide YY, showcasing a high affinity for these peptides. This receptor plays a pivotal role in mediating a variety of physiological processes, including the regulation of food intake, energy balance, and circadian rhythms, through its interaction with pancreatic polypeptides.
Therapeutic significance:
Understanding the role of Neuropeptide Y receptor type 1 could open doors to potential therapeutic strategies. Its involvement in key physiological processes presents an opportunity for the development of novel treatments targeting metabolic disorders and obesity.