Focused On-demand Library for Metallothionein-2

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 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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P02795

UPID:

MT2_HUMAN

Alternative names:

Metallothionein-2A; Metallothionein-II

Alternative UPACC:

P02795; Q14823; Q2HXR9; Q53XT9

Background:

Metallothionein-2, also known as Metallothionein-2A and Metallothionein-II, plays a crucial role in the biological system due to its high content of cysteine residues. These residues are instrumental in binding various heavy metals, showcasing the protein's significant function in metal ion homeostasis. The expression of Metallothionein-2 is transcriptionally regulated by heavy metals and glucocorticoids, highlighting its dynamic response to environmental and physiological stimuli.

Therapeutic significance:

Understanding the role of Metallothionein-2 could open doors to potential therapeutic strategies. Its ability to bind heavy metals suggests its importance in detoxification processes and protection against metal toxicity, making it a target of interest in the development of treatments for heavy metal poisoning and related conditions.