Focused On-demand Library for ATP-sensitive inward rectifier potassium channel 8

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for ion channels.

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of possible mechanisms of action.

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

Q15842

UPID:

KCNJ8_HUMAN

Alternative names:

Inward rectifier K(+) channel Kir6.1; Potassium channel, inwardly rectifying subfamily J member 8; uKATP-1

Alternative UPACC:

Q15842; O00657

Background:

ATP-sensitive inward rectifier potassium channel 8, also known as Kir6.1, plays a pivotal role in cellular electrophysiology. This potassium channel, regulated by G proteins and inward rectification, is crucial for maintaining potassium ion flow, influenced by external potassium levels and internal magnesium blockage. Its alternative names include Inward rectifier K(+) channel Kir6.1 and uKATP-1.

Therapeutic significance:

Kir6.1's involvement in Sudden Infant Death Syndrome (SIDS) and Hypertrichotic osteochondrodysplasia highlights its potential as a therapeutic target. Understanding Kir6.1's role could lead to novel treatments for these conditions, emphasizing the importance of research in uncovering the mechanisms behind its involvement in such diseases.