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

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 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 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the 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.