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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P21917
UPID:
DRD4_HUMAN
Alternative names:
D(2C) dopamine receptor; Dopamine D4 receptor
Alternative UPACC:
P21917; B0M0J7; Q7Z7Q5; Q8NGM5
Background:
The D(4) dopamine receptor, also known as the D(2C) dopamine receptor and Dopamine D4 receptor, plays a pivotal role in neuronal signaling within the mesolimbic system, a brain area crucial for regulating emotions and complex behaviors. It is activated not only by dopamine but also by epinephrine, norepinephrine, and various synthetic agonists and drugs. This receptor's activation inhibits adenylyl cyclase through G protein signaling, impacting functions from circadian rhythm regulation in retinal ganglion cells to contrast sensitivity.
Therapeutic significance:
Understanding the role of the D(4) dopamine receptor could open doors to potential therapeutic strategies.