AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium channel protein type 8 subunit alpha

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method involves in-depth molecular simulations of the ion channel in its native membrane environment, including its open, closed, and inactivated states, along with ensemble virtual screening that focuses on conformational mobility for each state. Tentative binding pockets are identified inside the pore, in the gating area, and at allosteric sites to address every conceivable mechanism 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

Q9UQD0

UPID:

SCN8A_HUMAN

Alternative names:

Sodium channel protein type VIII subunit alpha; Voltage-gated sodium channel subunit alpha Nav1.6

Alternative UPACC:

Q9UQD0; B9VWG8; O95788; Q9NYX2; Q9UPB2

Background:

The Sodium channel protein type 8 subunit alpha, also known as Voltage-gated sodium channel subunit alpha Nav1.6, plays a crucial role in mediating the voltage-dependent sodium ion permeability of excitable membranes. This protein transitions between opened or closed conformations in response to voltage differences across the membrane, forming a sodium-selective channel that facilitates Na(+) ions movement according to their electrochemical gradient. Additionally, it has a role in macrophages and melanoma cells, influencing podosome and invadopodia formation.

Therapeutic significance:

The Sodium channel protein type 8 subunit alpha is implicated in various neurological disorders, including Cognitive impairment with or without cerebellar ataxia, Developmental and epileptic encephalopathy 13, Benign familial infantile seizures, and Familial myoclonus 2. These associations highlight its potential as a target for therapeutic strategies aimed at treating these conditions.

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