Focused On-demand Library for G protein-activated inward rectifier potassium channel 4

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.

Our top-notch dedicated system is used to design specialised 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

P48544

UPID:

KCNJ5_HUMAN

Alternative names:

Cardiac inward rectifier; Heart KATP channel; Inward rectifier K(+) channel Kir3.4; KATP-1; Potassium channel, inwardly rectifying subfamily J member 5

Alternative UPACC:

P48544; B2R744; Q6DK13; Q6DK14; Q92807

Background:

G protein-activated inward rectifier potassium channel 4 (GIRK4) is a pivotal component in cardiac electrophysiology, facilitating potassium flow into cells. Known by various names including Cardiac inward rectifier and KATP-1, its activity is finely tuned by G proteins and external potassium levels, with inward rectification primarily due to internal magnesium blockage.

Therapeutic significance:

GIRK4's malfunction is linked to Long QT syndrome 13, a serious heart disorder, and familial Hyperaldosteronism 3, characterized by hypertension. These associations underscore its potential as a target for therapeutic interventions in cardiovascular diseases.