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.
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.
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 utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P05156
UPID:
CFAI_HUMAN
Alternative names:
C3B/C4B inactivator
Alternative UPACC:
P05156; O60442
Background:
Complement factor I, also known as C3B/C4B inactivator, is a trypsin-like serine protease pivotal in immune response regulation. It controls all complement pathways by cleaving specific peptide bonds in C3b and C4b, rendering these proteins inactive. This action is facilitated by cofactors such as factor H, C4BP, membrane cofactor protein/CD46, and CR1, which are present on healthy cells to prevent undesired complement activation.
Therapeutic significance:
Complement factor I plays a crucial role in diseases like atypical Hemolytic uremic syndrome, Complement factor I deficiency, and age-related Macular degeneration. Its involvement in these conditions highlights its potential as a target for therapeutic intervention, offering hope for treatments that could significantly improve patient outcomes.