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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8WXG8
UPID:
S100Z_HUMAN
Alternative names:
S100 calcium-binding protein Z
Alternative UPACC:
Q8WXG8
Background:
Protein S100-Z, also known as S100 calcium-binding protein Z, plays a crucial role in the regulation of a variety of cellular processes through its ability to bind calcium. This protein is part of the larger S100 protein family, which is known for its involvement in the regulation of protein phosphorylation, enzyme activities, and the dynamic of cytoskeleton components.
Therapeutic significance:
Understanding the role of Protein S100-Z could open doors to potential therapeutic strategies. Its involvement in calcium-binding and regulation offers a unique target for drug discovery, aiming to modulate cellular processes that are critical in disease pathogenesis.