Focused On-demand Library for Potassium voltage-gated channel subfamily E member 3

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 for ion channels.

Fig. 1. The sreening workflow of Receptor.AI

This includes extensive molecular simulations of the ion channel in its native membrane environment, in open, closed, and inactivated forms, paired with ensemble virtual screening that factors in conformational mobility in each state. Tentative binding pockets are considered in the pore, the gating region, and allosteric areas to capture the full range of mechanisms of action.

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

Q9Y6H6

UPID:

KCNE3_HUMAN

Alternative names:

MinK-related peptide 2; Minimum potassium ion channel-related peptide 2; Potassium channel subunit beta MiRP2

Alternative UPACC:

Q9Y6H6

Background:

Potassium voltage-gated channel subfamily E member 3, also known as MinK-related peptide 2, plays a crucial role in cardiac and skeletal muscle function. It assembles with voltage-gated potassium channel complexes, modulating their gating kinetics and enhancing stability. This protein is essential for establishing the resting membrane potential in muscle cells and may be involved in intestinal chloride secretion.

Therapeutic significance:

Brugada syndrome 6, a life-threatening heart condition, is associated with this protein. Understanding its role could lead to novel therapeutic strategies for managing this syndrome, emphasizing the importance of research into its functions and disease associations.