Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q93083
UPID:
MT1L_HUMAN
Alternative names:
Metallothionein-IL
Alternative UPACC:
Q93083
Background:
Metallothionein-1L, alternatively known as Metallothionein-IL, plays a crucial role in the biological system due to its high cysteine content, which enables the binding of various heavy metals. This protein is transcriptionally regulated by both heavy metals and glucocorticoids, highlighting its significance in metal homeostasis and stress response.
Therapeutic significance:
Understanding the role of Metallothionein-1L could open doors to potential therapeutic strategies. Its ability to bind heavy metals suggests a protective role in metal toxicity and related disorders, making it a target of interest in drug discovery.