Focused On-demand Library for Triggering receptor expressed on myeloid cells 2

Focused On-demand Libraries - Reaxense Collaboration

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9NZC2

UPID:

TREM2_HUMAN

Alternative names:

Triggering receptor expressed on monocytes 2

Alternative UPACC:

Q9NZC2; Q8N5H8; Q8WYN6

Background:

Triggering receptor expressed on myeloid cells 2 (TREM2) is a key protein in the immune system, partnering with TYROBP to form a signaling complex that activates cells upon ligand binding. It plays a crucial role in the brain's immune defense, mediating the uptake and degradation of amyloid-beta, a significant factor in Alzheimer's disease. TREM2 also facilitates the clearance of dead cells and debris, regulates inflammatory responses, and supports microglial function, which is essential for brain health.

Therapeutic significance:

TREM2's involvement in Polycystic lipomembranous osteodysplasia with sclerosing leukoencephalopathy 2 highlights its critical role in neurodegenerative diseases. Understanding TREM2's functions and mechanisms opens the door to novel therapeutic strategies targeting Alzheimer's disease and other conditions characterized by inflammation and faulty immune responses in the brain.