Focused On-demand Library for Potassium voltage-gated channel subfamily E member 2

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.

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

The method involves in-depth molecular simulations of the ion channel in its native membrane environment, including its open, closed, and inactivated states, along with ensemble virtual screening that focuses on conformational mobility for each state. Tentative binding pockets are identified inside the pore, in the gating area, and at allosteric sites to address every conceivable mechanism of action.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9Y6J6

UPID:

KCNE2_HUMAN

Alternative names:

MinK-related peptide 1; Minimum potassium ion channel-related peptide 1; Potassium channel subunit beta MiRP1

Alternative UPACC:

Q9Y6J6; A5H1P3; D3DSF8; Q52LJ5

Background:

Potassium voltage-gated channel subfamily E member 2, also known as MinK-related peptide 1, plays a crucial role in cardiac electrical activity. It modulates the gating kinetics and enhances stability of voltage-gated potassium channel complexes, crucial for heart rhythm and neuronal excitability.

Therapeutic significance:

Linked to Long QT syndrome 6 and Atrial fibrillation, familial, 4, this protein's understanding could lead to novel interventions for these heart disorders. Its role in modulating potassium channels presents a target for therapeutic strategies to manage arrhythmias and prevent sudden cardiac death.