AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2

Available from Reaxense
Predicted by Alphafold

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for ion channels.

 Fig. 1. The sreening workflow of Receptor.AI

It features detailed molecular simulations of the ion channel in its native membrane environment across its open, closed, and inactivated forms, coupled with ensemble virtual screening considering conformational mobility in these states. Potential binding sites are explored within the pore, in the gating region, and at allosteric locations to encompass all potential 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

Q9UL51

UPID:

HCN2_HUMAN

Alternative names:

Brain cyclic nucleotide-gated channel 2

Alternative UPACC:

Q9UL51; O60742; O60743; O75267; Q9UBS2

Background:

The Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, also known as Brain cyclic nucleotide-gated channel 2, plays a pivotal role in the heart and neurons by contributing to pacemaker currents. It exhibits weak selectivity for potassium over sodium ions and can transport ammonium in the distal nephron. Its activity is influenced by intracellular chloride ions and pH, with acidic pH shifting activation to more negative voltages.

Therapeutic significance:

This protein's malfunction is linked to Epilepsy, idiopathic generalized 17, and Febrile seizures, familial, 2, highlighting its critical role in neurological disorders. Understanding the role of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 could open doors to potential therapeutic strategies for these conditions.

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