Focused On-demand Library for Transient receptor potential cation channel subfamily M member 4

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8TD43

UPID:

TRPM4_HUMAN

Alternative names:

Calcium-activated non-selective cation channel 1; Long transient receptor potential channel 4; Melastatin-4

Alternative UPACC:

Q8TD43; A2RU25; Q7Z5D9; Q96L84; Q9NXV1

Background:

Transient receptor potential cation channel subfamily M member 4, also known as Calcium-activated non-selective cation channel 1, Long transient receptor potential channel 4, and Melastatin-4, plays a pivotal role in various physiological processes. It functions as a calcium-activated non-selective (CAN) cation channel, crucial for membrane depolarization and involved in the transport of monovalent cations. This channel is central to the function of cardiomyocytes, neurons, endocrine pancreas cells, and more, influencing cellular activities such as T-cell activation, insulin secretion, and cell proliferation.

Therapeutic significance:

The involvement of Transient receptor potential cation channel subfamily M member 4 in diseases like Progressive familial heart block 1B and Erythrokeratodermia variabilis et progressiva 6 highlights its potential as a target for therapeutic intervention. Understanding its role could open doors to novel treatments for these conditions.