AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Small conductance calcium-activated potassium channel protein 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 use our state-of-the-art dedicated workflow for designing focused 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

Q9UGI6

UPID:

KCNN3_HUMAN

Alternative names:

KCa2.3

Alternative UPACC:

Q9UGI6; B1ANX0; O43517; Q86VF9; Q8WXG7

Background:

Small conductance calcium-activated potassium channel protein 3 (KCa2.3) is a critical component in the regulation of neuronal excitability, forming a voltage-independent potassium channel activated by intracellular calcium. This protein plays a pivotal role in the slow component of synaptic afterhyperpolarization, contributing to the fine-tuning of synaptic transmission and neuronal signaling.

Therapeutic significance:

KCa2.3's involvement in Zimmermann-Laband syndrome 3, characterized by developmental disorders and potential intellectual disability, underscores its therapeutic significance. Targeting KCa2.3 could offer novel interventions for managing symptoms or altering the disease course, highlighting the importance of understanding its biological mechanisms.

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