Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O43614
UPID:
OX2R_HUMAN
Alternative names:
Hypocretin receptor type 2
Alternative UPACC:
O43614; Q5VTM0
Background:
The Orexin receptor type 2, also known as Hypocretin receptor type 2, is a pivotal protein that binds to orexin-A and orexin-B neuropeptides with high affinity. This interaction triggers an increase in cytoplasmic Ca(2+) levels, showcasing its critical role in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Orexin receptor type 2 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.