Focused On-demand Library for Inward rectifier potassium channel 18

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

B7U540

UPID:

KCJ18_HUMAN

Alternative names:

Inward rectifier K(+) channel Kir2.6; Potassium channel, inwardly rectifying subfamily J member 18

Alternative UPACC:

B7U540; A0A075B742; A0A142CKZ1; A0A142CKZ2

Background:

The Inward rectifier potassium channel 18, also known as Kir2.6 or Potassium channel, inwardly rectifying subfamily J member 18, plays a pivotal role in cellular potassium ion transport. This channel's unique property of allowing potassium ions to flow more readily into the cell than out underlies its critical function in maintaining the cell's electrical stability and overall ionic balance.

Therapeutic significance:

Linked to Thyrotoxic periodic paralysis 2, a condition necessitating hyperthyroidism for its manifestation, Kir2.6's involvement underscores the importance of potassium channels in muscle function and disease. Understanding the role of Inward rectifier potassium channel 18 could open doors to potential therapeutic strategies for managing this muscular disorder.