Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P42574
UPID:
CASP3_HUMAN
Alternative names:
Apopain; Cysteine protease CPP32; Protein Yama; SREBP cleavage activity 1
Alternative UPACC:
P42574; A8K5M2; D3DP53; Q96AN1; Q96KP2
Background:
Caspase-3, known by alternative names such as Apopain, Cysteine protease CPP32, Protein Yama, and SREBP cleavage activity 1, is a pivotal thiol protease in apoptosis execution. It is activated by initiator caspases and mediates apoptosis by cleaving numerous proteins, including PARP1, SREBPs, and caspases 6, 7, and 9. Caspase-3 also plays roles in cell adhesion, oxidative stress response, and inhibiting type I interferon production during virus-induced apoptosis.
Therapeutic significance:
Understanding the role of Caspase-3 could open doors to potential therapeutic strategies.