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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 for protein-protein interfaces.
Fig. 1. The sreening workflow of Receptor.AI
The method includes extensive molecular simulations of the target protein alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that considers conformational mobility in both free and complex states. Potential binding pockets are examined on the protein-protein interaction interface and in distant allosteric sites to cover all possible mechanisms of action.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9BZS1
UPID:
FOXP3_HUMAN
Alternative names:
Scurfin
Alternative UPACC:
Q9BZS1; A5HJT1; B7ZLG0; B9UN80; O60827; Q14DD8; Q4ZH51
Background:
Forkhead box protein P3, also known as FOXP3 or Scurfin, plays a pivotal role in immune system regulation. It is a transcriptional regulator essential for the development and function of regulatory T-cells (Treg), which are crucial for maintaining immune homeostasis. FOXP3 modulates the expansion and function of conventional T-cells and can act as both a transcriptional repressor and activator, influencing the expression of key immune response genes.
Therapeutic significance:
FOXP3's involvement in Immunodeficiency polyendocrinopathy, enteropathy, X-linked syndrome, a condition marked by severe immune dysregulation, underscores its therapeutic potential. Targeting FOXP3's regulatory pathways could lead to innovative treatments for autoimmune diseases and immune deficiencies, highlighting the importance of understanding its mechanisms.