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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.