Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Key features that set our library apart include:
partner
Reaxense
upacc
P28566
UPID:
5HT1E_HUMAN
Alternative names:
S31; Serotonin receptor 1E
Alternative UPACC:
P28566; E1P503; Q9P1Y1
Background:
The 5-hydroxytryptamine receptor 1E, known alternatively as S31 or Serotonin receptor 1E, is a pivotal G-protein coupled receptor. It specifically binds to 5-hydroxytryptamine (serotonin) alongside various alkaloids and psychoactive substances. This binding induces a conformational change, initiating signaling through guanine nucleotide-binding proteins (G proteins) and modulating adenylate cyclase activity, ultimately inhibiting it.
Therapeutic significance:
Understanding the role of 5-hydroxytryptamine receptor 1E could open doors to potential therapeutic strategies. Its intricate involvement in serotonin signaling pathways highlights its potential as a target for therapeutic intervention in conditions influenced by serotonin.