Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P02745
UPID:
C1QA_HUMAN
Alternative names:
-
Alternative UPACC:
P02745; B2R4X2; Q5T963
Background:
Complement C1q subcomponent subunit A plays a pivotal role in the immune system as part of the C1 complex, crucial for the activation of the complement classical pathway. This pathway is essential for the clearance of pathogens and damaged cells.
Therapeutic significance:
C1q deficiency 1, a disorder linked to mutations in this protein, underscores its critical function. Patients suffer from immune complex diseases, including systemic lupus erythematosus and glomerulonephritis. Targeting C1q pathways offers a promising avenue for therapeutic intervention in these conditions.