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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P80294
UPID:
MT1H_HUMAN
Alternative names:
Metallothionein-0; Metallothionein-IH
Alternative UPACC:
P80294; B2RUY6
Background:
Metallothionein-1H, also known as Metallothionein-0 and Metallothionein-IH, plays a crucial role in the biological system due to its high cysteine content, which enables the binding of various heavy metals. These proteins are transcriptionally regulated by heavy metals and glucocorticoids, highlighting their significance in metal ion homeostasis and detoxification.
Therapeutic significance:
Understanding the role of Metallothionein-1H could open doors to potential therapeutic strategies. Its ability to bind heavy metals suggests its importance in detoxification processes, which could be leveraged in treatments for heavy metal poisoning and related conditions.