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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P12724
UPID:
ECP_HUMAN
Alternative names:
Ribonuclease 3
Alternative UPACC:
P12724; Q4VBC1; Q8WTP7; Q8WZ62; Q9GZN9
Background:
Eosinophil cationic protein, also known as Ribonuclease 3, exhibits a broad spectrum of biological activities. It functions as a cytotoxin and helminthotoxin, with low-efficiency ribonuclease activity. This protein demonstrates antibacterial activity, targeting both Gram-negative and Gram-positive bacteria by depolarizing the cytoplasmic membrane, leading to outer membrane detachment, alteration in cell shape, and partial loss of cell content.
Therapeutic significance:
Understanding the role of Eosinophil cationic protein could open doors to potential therapeutic strategies.