Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P42575
UPID:
CASP2_HUMAN
Alternative names:
Neural precursor cell expressed developmentally down-regulated protein 2; Protease ICH-1
Alternative UPACC:
P42575; A8K5F9; D3DXD6; E9PDN0; P42576; Q59F21; Q7KZL6; Q86UJ3; Q9BUP7; Q9BZK9; Q9BZL0
Background:
Caspase-2, known as Neural precursor cell expressed developmentally down-regulated protein 2 or Protease ICH-1, plays a pivotal role in the apoptosis execution cascade. It functions through the activation of proteins essential for cell death or the inactivation of proteins crucial for cell survival. Caspase-2 forms part of the PIDDosome complex, alongside PIDD1 and CRADD, which activates CASP2 and induces apoptosis in response to genotoxic stress.
Therapeutic significance:
Understanding the role of Caspase-2 could open doors to potential therapeutic strategies.