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 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.
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
Q9NQ89
UPID:
CL004_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NQ89; D3DUQ8; Q6MZH5
Background:
Protein C12orf4, encoded by the gene with the accession number Q9NQ89, is implicated in mast cell degranulation, a critical process in the body's immune response. This protein's role is pivotal in the release of histamine and other mediators from mast cells, which are essential for the body's defense mechanisms.
Therapeutic significance:
Protein C12orf4 is linked to Intellectual developmental disorder, autosomal recessive 66 (MRT66), characterized by intellectual disability and neuropsychiatric symptoms. Understanding the role of Protein C12orf4 could open doors to potential therapeutic strategies for MRT66, offering hope for patients and families affected by this disorder.