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.
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
This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P29274
UPID:
AA2AR_HUMAN
Alternative names:
-
Alternative UPACC:
P29274; B2R7E0
Background:
The Adenosine receptor A2a, encoded by the gene with accession number P29274, plays a crucial role in cellular signaling. It functions as a receptor for adenosine, activating adenylyl cyclase through G protein mediation. This receptor's involvement in adenosine signaling makes it a key player in various physiological processes.
Therapeutic significance:
Understanding the role of Adenosine receptor A2a could open doors to potential therapeutic strategies. Its pivotal role in adenosine-mediated signaling pathways offers a promising avenue for drug discovery, aiming to modulate its activity for therapeutic benefits.