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

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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.

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

Q14003

UPID:

KCNC3_HUMAN

Alternative names:

KSHIIID; Voltage-gated potassium channel subunit Kv3.3

Alternative UPACC:

Q14003

Background:

Potassium voltage-gated channel subfamily C member 3 (Kv3.3) is crucial for the rapid repolarization of fast-firing brain neurons. It forms a potassium-selective channel, vital for neuronal action potentials and motor functions. Kv3.3's interaction with HAX1 and the Arp2/3 complex influences cortical actin cytoskeleton reorganization in neuronal growth cones.

Therapeutic significance:

Spinocerebellar ataxia 13, linked to Kv3.3, showcases the protein's critical role in cerebellar neuron survival and motor function. Understanding Kv3.3's mechanisms opens avenues for targeted therapies in cerebellar disorders, emphasizing its therapeutic potential.