Focused On-demand Library for Potassium channel subfamily T member 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted 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

Q5JUK3

UPID:

KCNT1_HUMAN

Alternative names:

KCa4.1

Alternative UPACC:

Q5JUK3; B3KXF7; B7ZVY4; B9EGP2; G5E9V0; Q9P2C5

Background:

Potassium channel subfamily T member 1, also known as KCa4.1, plays a pivotal role in neuronal excitability and signaling. It functions as an outwardly rectifying potassium channel subunit, which may coassemble with other Slo-type channel subunits. Its activation is influenced by high intracellular sodium or chloride levels and stimulation of G-protein coupled receptors, including CHRM1 and GRIA1. Additionally, KCa4.1's activity may be modulated by calcium in the absence of sodium ions.

Therapeutic significance:

KCa4.1 is implicated in severe neurological disorders such as Developmental and Epileptic Encephalopathy 14 and Epilepsy, Nocturnal Frontal Lobe, 5. These conditions are characterized by pharmacoresistant seizures, developmental delays, and in some cases, behavioral or psychiatric manifestations. Understanding the role of KCa4.1 could open doors to potential therapeutic strategies targeting these debilitating epileptic syndromes.