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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NP99
UPID:
TREM1_HUMAN
Alternative names:
Triggering receptor expressed on monocytes 1
Alternative UPACC:
Q9NP99; B4DWG2; K7EJW1; Q53FL8; Q5T2C9; Q86YU1
Background:
Triggering receptor expressed on myeloid cells 1 (TREM1) is a pivotal protein in innate and adaptive immunity, enhancing inflammatory responses upon activation by ligands like PGLYRP1, HMGB1, or HSP70. It forms a complex with TYROBP/DAP12, initiating a SYK-mediated phosphorylation cascade, activating BTK, MAPK1, MAPK3, and phospholipase C-gamma. This cascade facilitates the release of pro-inflammatory cytokines and chemokines, crucial for neutrophil and macrophage function in response to bacterial and fungal infections.
Therapeutic significance:
Understanding the role of Triggering receptor expressed on myeloid cells 1 could open doors to potential therapeutic strategies, especially in managing acute and chronic inflammatory diseases such as septic shock and atherosclerosis.