AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium channel protein type 2 subunit alpha

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for ion channels.

 Fig. 1. The sreening workflow of Receptor.AI

This process includes comprehensive molecular simulations of the ion channel in its native membrane environment, depicting its open, closed, and inactivated states, and ensemble virtual screening that accounts for conformational mobility in each state. Tentative binding pockets are investigated inside the pore, at the gating region, and in allosteric sites to cover the full spectrum of possible mechanisms of action.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q99250

UPID:

SCN2A_HUMAN

Alternative names:

HBSC II; Sodium channel protein brain II subunit alpha; Sodium channel protein type II subunit alpha; Voltage-gated sodium channel subunit alpha Nav1.2

Alternative UPACC:

Q99250; A6NC14; A6NIQ5; Q14472; Q53T77; Q9BZC9; Q9BZD0

Background:

The Sodium channel protein type 2 subunit alpha, known as Nav1.2, plays a crucial role in the voltage-dependent sodium ion permeability of excitable membranes. It transitions between opened or closed conformations based on the voltage difference across the membrane, forming a sodium-selective channel. This protein is pivotal in regulating hippocampal replay within sharp wave ripples, essential for memory consolidation.

Therapeutic significance:

Nav1.2 is implicated in several neurological disorders, including benign familial infantile seizures, developmental and epileptic encephalopathy, and episodic ataxia. Understanding its function and the genetic variants affecting it opens avenues for targeted therapeutic strategies, potentially revolutionizing treatment for these conditions.

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