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.
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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O43613
UPID:
OX1R_HUMAN
Alternative names:
Hypocretin receptor type 1; Orexin receptor type 1
Alternative UPACC:
O43613; A8K3A6; Q9HBV6
Background:
Orexin/Hypocretin receptor type 1, also known as Hypocretin receptor type 1 and Orexin receptor type 1, plays a crucial role in the regulation of sleep and wakefulness. It is a moderately selective excitatory receptor for orexin-A and, to a lesser extent, orexin-B neuropeptide, triggering an increase in cytoplasmic Ca(2+) levels upon orexin-A binding.
Therapeutic significance:
Understanding the role of Orexin/Hypocretin receptor type 1 could open doors to potential therapeutic strategies.