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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P01042
UPID:
KNG1_HUMAN
Alternative names:
Alpha-2-thiol proteinase inhibitor; Fitzgerald factor; High molecular weight kininogen; Williams-Fitzgerald-Flaujeac factor
Alternative UPACC:
P01042; A8K474; B2RCR2; C9JEX1; P01043; Q53EQ0; Q6PAU9; Q7M4P1
Background:
Kininogen-1, known by alternative names such as High molecular weight kininogen and Fitzgerald factor, plays a pivotal role in blood coagulation and inflammation. It acts as an inhibitor of thiol proteases and is crucial for positioning prekallikrein and factor XI in the coagulation cascade. Moreover, its derivative, bradykinin, is a potent vasodilator influencing various physiological processes.
Therapeutic significance:
Kininogen-1 is linked to diseases like High molecular weight kininogen deficiency and Hereditary Angioedema type 6, highlighting its therapeutic potential. Understanding the role of Kininogen-1 could open doors to potential therapeutic strategies, especially in coagulation disorders and inflammatory conditions.