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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N339
UPID:
MT1M_HUMAN
Alternative names:
Metallothionein-IM
Alternative UPACC:
Q8N339; Q8TDN3
Background:
Metallothionein-1M, alternatively known as Metallothionein-IM, plays a crucial role in the biological system due to its high cysteine content, which enables it to bind various heavy metals. This binding capability is essential for detoxification processes and is tightly regulated by heavy metals and glucocorticoids, highlighting its dynamic response to environmental and physiological stimuli.
Therapeutic significance:
Understanding the role of Metallothionein-1M could open doors to potential therapeutic strategies. Its ability to interact with heavy metals suggests its significance in detoxification pathways, which could be leveraged in treatments for heavy metal poisoning or disorders related to metal ion imbalance.