Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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
P00736
UPID:
C1R_HUMAN
Alternative names:
Complement component 1 subcomponent r
Alternative UPACC:
P00736; A6NJQ8; Q68D77; Q8J012
Background:
The Complement C1r subcomponent, also known as Complement component 1 subcomponent r, plays a pivotal role in the classical pathway of the complement system. As a serine protease, it collaborates with C1q and C1s to form C1, initiating a cascade crucial for immune defense.
Therapeutic significance:
Given its involvement in Ehlers-Danlos syndrome, periodontal type, 1 (EDSPD1), a disorder marked by connective tissue fragility and severe periodontal disease, targeting Complement C1r subcomponent offers a promising avenue for therapeutic intervention.