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
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P25021
UPID:
HRH2_HUMAN
Alternative names:
Gastric receptor I
Alternative UPACC:
P25021; B5BUP7; Q14464; Q7Z5R9
Background:
The Histamine H2 receptor, also known as Gastric receptor I, plays a pivotal role in the regulation of gastric acid secretion. It is also involved in gastrointestinal motility and intestinal secretion, and may influence cell growth and differentiation. This receptor operates through G proteins that activate adenylyl cyclase and a separate mechanism involving the phosphoinositide/protein kinase (PKC) signaling pathway.
Therapeutic significance:
Understanding the role of Histamine H2 receptor could open doors to potential therapeutic strategies.