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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P35462
UPID:
DRD3_HUMAN
Alternative names:
Dopamine D3 receptor
Alternative UPACC:
P35462; A1A4V5; Q4VBM8
Background:
The D(3) dopamine receptor, also known as the Dopamine D3 receptor, plays a crucial role in the central nervous system. Its activity is mediated by G proteins which inhibit adenylyl cyclase, promoting cell proliferation. This receptor is pivotal in modulating neurotransmission and brain function.
Therapeutic significance:
The D(3) dopamine receptor is implicated in hereditary essential tremor and schizophrenia. Variants affecting this gene can lead to susceptibility to these conditions, highlighting its potential as a target for therapeutic strategies aimed at treating movement disorders and psychotic disorders.