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 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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q86WR0
UPID:
CCD25_HUMAN
Alternative names:
-
Alternative UPACC:
Q86WR0; Q0P663; Q96SI2; Q9NV98
Background:
Coiled-coil domain-containing protein 25 plays a pivotal role in cell motility by sensing neutrophil extracellular traps (NETs), which are DNA fibers released during inflammation to trap pathogens. This protein specifically binds to NETs, particularly to 8-OHdG-enriched DNA, initiating the ILK-PARVB pathway that leads to cytoskeleton rearrangement and directional cell migration.
Therapeutic significance:
Understanding the role of Coiled-coil domain-containing protein 25 could open doors to potential therapeutic strategies, especially in the context of cancer metastasis where it promotes tumor cell migration by sensing NETs.