Focused On-demand Library for Sodium channel protein type 5 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.

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 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.

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

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

Q14524

UPID:

SCN5A_HUMAN

Alternative names:

Sodium channel protein cardiac muscle subunit alpha; Sodium channel protein type V subunit alpha; Voltage-gated sodium channel subunit alpha Nav1.5; hH1

Alternative UPACC:

Q14524; A5H1P8; A6N922; A6N923; B2RTU0; E7ET19; E9PEF3; E9PEK2; E9PFW7; Q59H93; Q75RX9; Q75RY0; Q86UR3; Q8IZC9; Q96J69

Background:

The Sodium channel protein type 5 subunit alpha, also known as Nav1.5, plays a crucial role in cardiac muscle function. It mediates voltage-dependent sodium ion permeability, essential for the initial upstroke of the action potential in excitable membranes. Its ability to switch between open or closed conformations in response to voltage differences is vital for maintaining cardiac rhythm.

Therapeutic significance:

Nav1.5's involvement in a range of cardiac disorders, including Progressive familial heart block 1A, Long QT syndrome 3, and Brugada syndrome 1, underscores its therapeutic significance. Targeting Nav1.5 could lead to innovative treatments for these life-threatening conditions, offering hope for patients with hereditary cardiac arrhythmias.