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.
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 top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P04733
UPID:
MT1F_HUMAN
Alternative names:
Metallothionein-IF
Alternative UPACC:
P04733; Q9UI97
Background:
Metallothionein-1F, alternatively known as Metallothionein-IF, 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-1F 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.