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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P01034
UPID:
CYTC_HUMAN
Alternative names:
Cystatin-3; Gamma-trace; Neuroendocrine basic polypeptide; Post-gamma-globulin
Alternative UPACC:
P01034; B2R5J9; D3DW42; Q6FGW9
Background:
Cystatin-C, known alternatively as Cystatin-3, Gamma-trace, Neuroendocrine basic polypeptide, and Post-gamma-globulin, plays a crucial role in the human body as an inhibitor of cysteine proteinases. This protein is pivotal in regulating enzyme activity, ensuring physiological balance and protecting against protein degradation.
Therapeutic significance:
The significance of Cystatin-C extends to its involvement in diseases such as Amyloidosis 6, characterized by cystatin C amyloid deposition leading to cerebral hemorrhage and premature stroke, and age-related Macular degeneration, 11, a major cause of vision loss. These associations highlight the therapeutic potential of targeting Cystatin-C in treating and understanding these conditions.