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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P00748
UPID:
FA12_HUMAN
Alternative names:
Hageman factor
Alternative UPACC:
P00748; P78339
Background:
Coagulation factor XII, also known as Hageman factor, is a crucial serum glycoprotein in blood coagulation, fibrinolysis, and the generation of bradykinin and angiotensin. It initiates the coagulation cascade by cleaving prekallikrein to kallikrein, which further processes factor XII into its active forms, alpha-factor XIIa and beta-factor XIIa, thereby activating factor XI.
Therapeutic significance:
Factor XII deficiency, an asymptomatic anomaly affecting blood coagulation, and Hereditary angioedema type 3, a condition exacerbated by estrogen, are directly linked to mutations in the factor XII gene. Understanding the role of Coagulation factor XII could open doors to potential therapeutic strategies for these conditions.