Focused On-demand Library for Potassium channel subfamily T member 2

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q6UVM3

UPID:

KCNT2_HUMAN

Alternative names:

Sequence like an intermediate conductance potassium channel subunit; Sodium and chloride-activated ATP-sensitive potassium channel Slo2.1

Alternative UPACC:

Q6UVM3; Q3SY59; Q5VTN1; Q6ZMT3

Background:

Potassium channel subfamily T member 2, also known as Slo2.1, is an outward rectifying potassium channel. It is activated by high intracellular sodium and chloride levels and plays a crucial role in maintaining the cell's electrical stability. Slo2.1 is inhibited by ATP and certain inhalation anesthetics like isoflurane, and its activity decreases upon stimulation of G-protein coupled receptors such as CHRM1 and GRM1.

Therapeutic significance:

Slo2.1 is implicated in Developmental and Epileptic Encephalopathy 57 (DEE57), a severe early-onset epilepsy with neurodevelopmental impairment. Given its role in this condition, targeting Slo2.1 could offer new avenues for therapeutic intervention in DEE57 and potentially other related neurological disorders.