Focused On-demand Library for Hypocretin neuropeptide precursor

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.

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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:

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

O43612

UPID:

OREX_HUMAN

Alternative names:

Hypocretin; Orexin precursor; Prepro-orexin; Preprohypocretin

Alternative UPACC:

O43612

Background:

The Hypocretin neuropeptide precursor, also known as Orexin precursor, plays a pivotal role in regulating food intake and sleep-wakefulness, suggesting its broader involvement in energy metabolism, autonomic function, hormonal balance, and body fluid regulation. It binds to orexin receptors HCRTR1/OX1R and HCRTR2/OX2R, stimulating food intake and modulating pituitary luteinizing hormone secretion.

Therapeutic significance:

Narcolepsy 1, a neurological disorder characterized by excessive daytime sleepiness and cataplexy, is linked to variants affecting the Hypocretin gene. The disorder is associated with a deficient orexin system, highlighting the therapeutic potential of targeting this protein in narcolepsy treatment strategies.