Focused On-demand Library for Chloride channel protein ClC-Ka

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.

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.

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.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P51800

UPID:

CLCKA_HUMAN

Alternative names:

ClC-K1

Alternative UPACC:

P51800; B4DPD3; E7EPH6; Q5T5P8; Q5T5Q4; Q7Z6D1; Q86VT1

Background:

The Chloride channel protein ClC-Ka, also known as ClC-K1, plays a pivotal role in the regulation of cell volume, membrane potential stabilization, signal transduction, and transepithelial transport. Its significance is underscored in urinary concentrating mechanisms, highlighting its essential function in maintaining electrolyte balance.

Therapeutic significance:

ClC-Ka's involvement in Bartter syndrome 4B, a condition characterized by impaired salt reabsorption, hypokalemic metabolic alkalosis, and sensorineural deafness, underscores its therapeutic potential. Targeting ClC-Ka could lead to innovative treatments for this syndrome, emphasizing the importance of understanding its biological mechanisms.