Focused On-demand Library for Sodium channel protein type 10 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

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

Q9Y5Y9

UPID:

SCNAA_HUMAN

Alternative names:

Peripheral nerve sodium channel 3; Sodium channel protein type X subunit alpha; Voltage-gated sodium channel subunit alpha Nav1.8

Alternative UPACC:

Q9Y5Y9; A6NDQ1

Background:

The Sodium channel protein type 10 subunit alpha, also known as Peripheral nerve sodium channel 3 and Voltage-gated sodium channel subunit alpha Nav1.8, plays a pivotal role in the voltage-dependent sodium ion permeability of excitable membranes. It transitions between opened or closed conformations in response to voltage differences, forming a sodium-selective channel that aligns with the electrochemical gradient.

Therapeutic significance:

This protein's malfunction is linked to Episodic pain syndrome, familial, 2, a disorder characterized by adult-onset paroxysmal pain primarily in the distal lower extremities. Understanding its function could lead to novel therapeutic strategies for managing neuropathic pain.