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

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

Q9UK17

UPID:

KCND3_HUMAN

Alternative names:

Voltage-gated potassium channel subunit Kv4.3

Alternative UPACC:

Q9UK17; O60576; O60577; Q14D71; Q5T0M0; Q9UH85; Q9UH86; Q9UK16

Background:

Potassium voltage-gated channel subfamily D member 3, also known as Kv4.3, plays a crucial role in the electrical signaling in neurons and the heart. It forms the pore-forming (alpha) subunit of voltage-gated rapidly inactivating A-type potassium channels, contributing to the I(To) current in the heart and I(Sa) current in neurons. Its modulation by interactions with other alpha subunits and regulatory subunits fine-tunes channel properties.

Therapeutic significance:

Kv4.3's involvement in Spinocerebellar ataxia 19 and Brugada syndrome 9 highlights its therapeutic significance. Understanding its role in these diseases could lead to targeted treatments for the cerebellar ataxic syndrome with cognitive impairment and the life-threatening tachyarrhythmia, respectively.