Focused On-demand Library for T-cell surface glycoprotein CD3 zeta chain

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P20963

UPID:

CD3Z_HUMAN

Alternative names:

T-cell receptor T3 zeta chain

Alternative UPACC:

P20963; B1AK49; Q5VX13; Q8TAX4

Background:

The T-cell surface glycoprotein CD3 zeta chain, also known as the T-cell receptor T3 zeta chain, is integral to the TCR-CD3 complex on T-lymphocyte surfaces, crucial for the adaptive immune response. It facilitates signal transduction across the cell membrane upon activation by antigen-presenting cells, through phosphorylation of ITAMs by kinases LCK and FYN, leading to ZAP70 activation and subsequent signaling pathway activations. Its role extends to T-cell differentiation and synapse formation in retinal ganglion cells.

Therapeutic significance:

Linked to Immunodeficiency 25, the T-cell surface glycoprotein CD3 zeta chain's dysfunction underscores its therapeutic potential. Understanding its role could unveil novel strategies for treating immune response impairments.