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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75324
UPID:
SNN_HUMAN
Alternative names:
AG8_1
Alternative UPACC:
O75324; D3DUG4; Q6FGI0
Background:
Stannin, also known as AG8_1, is a protein that has been identified to play a crucial role in the toxic effects of organotins, as well as in endosomal maturation. These functions suggest its involvement in critical cellular processes and response to environmental toxins.
Therapeutic significance:
Understanding the role of Stannin could open doors to potential therapeutic strategies. Its involvement in cellular toxicity and endosomal maturation processes makes it a potential target for developing treatments against diseases caused by organotin toxicity.