Focused On-demand Library for Potassium voltage-gated channel subfamily B member 1

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 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

This process includes comprehensive molecular simulations of the ion channel in its native membrane environment, depicting its open, closed, and inactivated states, and ensemble virtual screening that accounts for conformational mobility in each state. Tentative binding pockets are investigated inside the pore, at the gating region, and in allosteric sites to cover the full 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

Q14721

UPID:

KCNB1_HUMAN

Alternative names:

Delayed rectifier potassium channel 1; Voltage-gated potassium channel subunit Kv2.1

Alternative UPACC:

Q14721; Q14193

Background:

Potassium voltage-gated channel subfamily B member 1, also known as Kv2.1, plays a crucial role in regulating transmembrane potassium transport in excitable membranes, notably in the brain, pancreas, and cardiovascular system. It is pivotal in controlling action potential repolarization and the frequency of repetitive firing in neurons, contributing to the homeostatic attenuation of electrical excitability across the brain. Kv2.1 forms tetrameric potassium-selective channels, facilitating potassium ions' passage in line with their electrochemical gradient.

Therapeutic significance:

Kv2.1's involvement in Developmental and Epileptic Encephalopathy 26, characterized by severe early-onset epilepsies, neurodevelopmental impairment, and refractory seizures, underscores its therapeutic significance. Understanding the role of Kv2.1 could open doors to potential therapeutic strategies, offering hope for targeted interventions in epilepsy and other neurological disorders.