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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:
partner
Reaxense
upacc
P04080
UPID:
CYTB_HUMAN
Alternative names:
CPI-B; Liver thiol proteinase inhibitor; Stefin-B
Alternative UPACC:
P04080
Background:
Cystatin-B, also known as CPI-B, Liver thiol proteinase inhibitor, and Stefin-B, is an intracellular thiol proteinase inhibitor. It plays a crucial role in inhibiting cathepsins L, H, and B, which are involved in protein degradation and turnover.
Therapeutic significance:
Cystatin-B is linked to Epilepsy, progressive myoclonic 1 (EPM1), a severe neurological disorder characterized by myoclonus, seizures, and cognitive decline. Understanding the role of Cystatin-B could lead to novel therapeutic strategies for EPM1.