Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create targeted 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.