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

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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

O94759

UPID:

TRPM2_HUMAN

Alternative names:

Estrogen-responsive element-associated gene 1 protein; Long transient receptor potential channel 2; Transient receptor potential channel 7; Transient receptor potential melastatin 2

Alternative UPACC:

O94759; D3DSL6; Q5KTC2; Q6J3P5; Q96KN6; Q96Q93

Background:

Transient receptor potential cation channel subfamily M member 2 (TRPM2) is a versatile protein implicated in various cellular processes. It functions as a nonselective, voltage-independent cation channel, facilitating Na(+) and Ca(2+) influx, thereby increasing cytoplasmic Ca(2+) levels. TRPM2 is activated by ADP-ribose, moderate heat, and oxidative stress, playing a crucial role in signaling via intracellular Ca(2+) levels, insulin secretion, and immune responses.

Therapeutic significance:

Understanding the role of Transient receptor potential cation channel subfamily M member 2 could open doors to potential therapeutic strategies. Its involvement in Ca(2+) homeostasis and response to cellular stress highlights its potential as a target in treating diseases linked to calcium dysregulation and oxidative stress.