Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.
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
P13640
UPID:
MT1G_HUMAN
Alternative names:
Metallothionein-1K; Metallothionein-IG
Alternative UPACC:
P13640; P80296
Background:
Metallothionein-1G, also known as Metallothionein-1K and Metallothionein-IG, plays a crucial role in the biological system due to its high cysteine content. This unique composition enables it to bind various heavy metals, acting as a detoxifying agent. The expression of Metallothionein-1G is intricately regulated by the presence of heavy metals and glucocorticoids, highlighting its adaptive response to environmental stressors.
Therapeutic significance:
Understanding the role of Metallothionein-1G could open doors to potential therapeutic strategies. Its ability to bind heavy metals suggests a protective mechanism that could be harnessed in treatments for heavy metal poisoning or disorders related to metal dysregulation.