Focused On-demand Library for Sodium channel protein type 3 subunit alpha

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

Our top-notch dedicated system is used to design specialised 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

Q9NY46

UPID:

SCN3A_HUMAN

Alternative names:

Sodium channel protein brain III subunit alpha; Sodium channel protein type III subunit alpha; Voltage-gated sodium channel subtype III; Voltage-gated sodium channel subunit alpha Nav1.3

Alternative UPACC:

Q9NY46; Q16142; Q53SX0; Q9BZB3; Q9C006; Q9NYK2; Q9P2J1; Q9UPD1; Q9Y6P4

Background:

The Sodium channel protein type 3 subunit alpha, known by its alternative names such as Sodium channel protein brain III subunit alpha and Voltage-gated sodium channel subtype III, plays a pivotal 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, establishing a sodium-selective channel that facilitates Na(+) ions movement according to their electrochemical gradient.

Therapeutic significance:

Linked to diseases like Epilepsy, familial focal, with variable foci 4 and Developmental and epileptic encephalopathy 62, this protein's variants significantly impact neurological health. Understanding its role could lead to groundbreaking therapeutic strategies for these conditions, highlighting its importance in drug discovery for epilepsy and related neurological disorders.