Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P47869
UPID:
GBRA2_HUMAN
Alternative names:
GABA(A) receptor subunit alpha-2
Alternative UPACC:
P47869; A8K0U7; B7Z1H8; Q59G14
Background:
Gamma-aminobutyric acid receptor subunit alpha-2, also known as GABA(A) receptor subunit alpha-2, plays a crucial role in the brain's inhibitory signaling by forming ligand-gated chloride channels. This protein is part of a heteropentameric receptor complex essential for GABA, the primary inhibitory neurotransmitter, to mediate synaptic inhibition and contribute to the formation of functional inhibitory GABAergic synapses.
Therapeutic significance:
The protein's mutation is linked to Developmental and Epileptic Encephalopathy 78 (DEE78), characterized by severe early-onset epilepsies, developmental delay, and intellectual disability. Understanding the role of Gamma-aminobutyric acid receptor subunit alpha-2 could open doors to potential therapeutic strategies for treating DEE78 and related neurological disorders.