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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P07225
UPID:
PROS_HUMAN
Alternative names:
-
Alternative UPACC:
P07225; A8KAC9; D3DN28; Q15518; Q7Z715; Q9UCZ8
Background:
Vitamin K-dependent protein S plays a pivotal role in the regulation of blood coagulation, acting as a crucial cofactor to activated protein C in the degradation of coagulation factors Va and VIIIa. This anticoagulant plasma protein is instrumental in preventing coagulation and promoting fibrinolysis, maintaining the delicate balance between bleeding and clotting in the circulatory system.
Therapeutic significance:
The significance of Vitamin K-dependent protein S extends into clinical pathology, where its deficiency is linked to thrombophilia due to protein S deficiency, both in autosomal dominant and recessive forms. These conditions manifest through impaired blood coagulation, leading to recurrent venous thrombosis, and in severe cases, neonatal purpura fulminans and intracranial hemorrhage. Understanding the role of Vitamin K-dependent protein S could open doors to potential therapeutic strategies for these hemostatic disorders.