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.
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.
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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P04731
UPID:
MT1A_HUMAN
Alternative names:
Metallothionein-IA
Alternative UPACC:
P04731; Q86YX5
Background:
Metallothionein-1A, alternatively known as Metallothionein-IA, 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 mechanisms.
Therapeutic significance:
Understanding the role of Metallothionein-1A 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.