AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium channel subunit beta-4

Available from Reaxense
Predicted by Alphafold

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Q8IWT1

UPID:

SCN4B_HUMAN

Alternative names:

-

Alternative UPACC:

Q8IWT1; E9PPT5; Q6PIG5

Background:

The Sodium channel subunit beta-4, encoded by the gene with accession number Q8IWT1, plays a crucial role in modulating channel gating kinetics. It is instrumental in causing negative shifts in the voltage dependence of activation of certain alpha sodium channels, without affecting their inactivation. This protein also modulates the susceptibility of sodium channels to inhibition by various toxic peptides from spider, scorpion, wasp, and sea anemone venom.

Therapeutic significance:

Sodium channel subunit beta-4 is linked to significant cardiovascular conditions, including Long QT syndrome 10 and familial atrial fibrillation 17. These diseases underscore the protein's critical role in cardiac electrical activity and rhythm regulation. Understanding the role of Sodium channel subunit beta-4 could open doors to potential therapeutic strategies for these life-threatening conditions.

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