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

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

We use our state-of-the-art dedicated workflow for designing focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.