Focused On-demand Library for Potassium voltage-gated channel subfamily A member 5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P22460

UPID:

KCNA5_HUMAN

Alternative names:

HPCN1; Voltage-gated potassium channel HK2; Voltage-gated potassium channel subunit Kv1.5

Alternative UPACC:

P22460; Q4KKT8; Q4VAJ1; Q4VAJ2; Q9UDA4

Background:

Potassium voltage-gated channel subfamily A member 5 (Kv1.5), encoded by the gene with accession number P22460, is a critical component in the regulation of potassium transport across excitable membranes. It forms both homotetrameric and heterotetrameric channels, influencing cellular excitability. The channel's activity is essential for maintaining the resting membrane potential and modulating action potentials in various cell types, including cardiac and pancreatic cells.

Therapeutic significance:

Kv1.5 has been directly linked to Atrial fibrillation, familial, 7, a condition characterized by irregular heart rhythms. This association underscores the protein's potential as a target for therapeutic intervention in cardiac arrhythmias. Understanding the role of Kv1.5 could open doors to potential therapeutic strategies, particularly in the development of selective ion channel modulators to correct heart rhythm disorders.