AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein kinase WNK4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96J92

UPID:

WNK4_HUMAN

Alternative names:

Protein kinase lysine-deficient 4; Protein kinase with no lysine 4

Alternative UPACC:

Q96J92; B0LPI0; Q8N8X3; Q8N8Z2; Q96DT8; Q9BYS5

Background:

Serine/threonine-protein kinase WNK4, also known as Protein kinase lysine-deficient 4, plays a pivotal role in the regulation of ion transport and blood pressure. It is a key component of the WNK4-SPAK/OSR1 kinase cascade, influencing the activity of various ion cotransporters and channels, thus affecting renal salt reabsorption and potassium secretion.

Therapeutic significance:

WNK4's involvement in Pseudohypoaldosteronism 2B, a disorder marked by hypertension and hyperkalemia, underscores its therapeutic potential. Targeting WNK4 could lead to innovative treatments for this condition, leveraging its role in modulating ion transport and blood pressure.

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