AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glutathione hydrolase 1 proenzyme

Available from Reaxense
Predicted by Alphafold

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

P19440

UPID:

GGT1_HUMAN

Alternative names:

Gamma-glutamyltransferase 1; Gamma-glutamyltranspeptidase 1; Leukotriene-C4 hydrolase

Alternative UPACC:

P19440; Q08247; Q14404; Q8TBS1; Q9UMK1

Background:

Gamma-glutamyltransferase 1 (GGT1), also known as Glutathione hydrolase 1 proenzyme, plays a crucial role in the metabolism of glutathione, breaking down this vital antioxidant to maintain cellular health. It cleaves the gamma-glutamyl bond of glutathione and its conjugates, facilitating the release of free glutamate and the dipeptide cysteinyl-glycine. This process is essential for cellular detoxification and the recycling of glutathione.

Therapeutic significance:

GGT1's involvement in Glutathionuria, a rare metabolic disorder characterized by glutathione presence in urine and associated with intellectual disability and behavioral disturbances, highlights its therapeutic potential. Understanding the role of Gamma-glutamyltransferase 1 could open doors to potential therapeutic strategies for treating Glutathionuria and related metabolic disorders.

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.