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 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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P06681
UPID:
CO2_HUMAN
Alternative names:
C3/C5 convertase
Alternative UPACC:
P06681; B4DPF3; B4DV20; E9PFN7; O19694; Q13904
Background:
Complement C2, a pivotal protein in the classical pathway of the complement system, is cleaved into C2b and C2a fragments by activated factor C1. C2a, a serine protease, then combines with C4b to form the C3 or C5 convertase, crucial for immune response.
Therapeutic significance:
Complement C2 is linked to age-related macular degeneration (AMD) and complement component 2 deficiency, affecting vision and immune function. Understanding its role could lead to novel treatments for these conditions.