Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
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 is unique due to several crucial aspects:
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.