AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for T-cell immunoreceptor with Ig and ITIM domains

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

 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.

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

Q495A1

UPID:

TIGIT_HUMAN

Alternative names:

V-set and immunoglobulin domain-containing protein 9; V-set and transmembrane domain-containing protein 3

Alternative UPACC:

Q495A1; Q495A3; Q5JPD8; Q6MZS2; Q8N877

Background:

The T-cell immunoreceptor with Ig and ITIM domains (TIGIT), also known as V-set and immunoglobulin domain-containing protein 9 or V-set and transmembrane domain-containing protein 3, plays a pivotal role in immune regulation. It binds with high affinity to the poliovirus receptor (PVR), influencing the immune response through modulation of cytokine secretion. This interaction leads to an increased secretion of IL10 and a decreased secretion of IL12B, pivotal in the suppression of T-cell activation and the promotion of mature immunoregulatory dendritic cells.

Therapeutic significance:

Understanding the role of T-cell immunoreceptor with Ig and ITIM domains could open doors to potential therapeutic strategies. Its ability to modulate immune responses positions it as a key target in the development of treatments for autoimmune diseases and in the enhancement of cancer immunotherapy efficacy.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.