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.
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.
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 ion channels.
Fig. 1. The sreening workflow of Receptor.AI
It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of possible mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P54289
UPID:
CA2D1_HUMAN
Alternative names:
Voltage-gated calcium channel subunit alpha-2/delta-1
Alternative UPACC:
P54289; Q17R45; Q9UD80; Q9UD81; Q9UD82
Background:
The Voltage-dependent calcium channel subunit alpha-2/delta-1, also known as Voltage-gated calcium channel subunit alpha-2/delta-1, plays a pivotal role in regulating calcium current density and the activation/inactivation kinetics of calcium channels. Its involvement in excitation-contraction coupling underscores its importance in cellular signaling and muscle contraction.
Therapeutic significance:
Linked to Developmental and epileptic encephalopathy 110, a condition characterized by severe developmental delay, hypotonia, and early-onset seizures, the alpha-2/delta-1 subunit's dysfunction highlights its potential as a therapeutic target. Understanding its role could lead to novel treatments for this debilitating disease.