Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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
P04083
UPID:
ANXA1_HUMAN
Alternative names:
Annexin I; Annexin-1; Calpactin II; Calpactin-2; Chromobindin-9; Lipocortin I; Phospholipase A2 inhibitory protein; p35
Alternative UPACC:
P04083; B5BU38
Background:
Annexin A1, also known as Lipocortin I, plays pivotal roles in the immune response, acting as an effector of glucocorticoid-mediated responses and regulating inflammation. It exhibits anti-inflammatory activity, contributes to T-cell activation, and promotes Th1 cell differentiation while inhibiting Th2 cell differentiation. Annexin A1 binds up to eight Ca(2+) ions, displaying Ca(2+)-dependent phospholipid membrane binding, crucial for phagocytosis and the inflammatory response.
Therapeutic significance:
Understanding the role of Annexin A1 could open doors to potential therapeutic strategies. Its involvement in immune response modulation and inflammation regulation highlights its potential as a target for developing treatments for autoimmune diseases and inflammatory conditions.