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 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
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.