AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Inward rectifier potassium channel 18

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 high-tech, dedicated method is applied to construct targeted 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.

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