AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glutathione hydrolase 5 proenzyme

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P36269

UPID:

GGT5_HUMAN

Alternative names:

Gamma-glutamyl transpeptidase-related enzyme; Gamma-glutamyltransferase 5; Gamma-glutamyltransferase-like activity 1; Gamma-glutamyltranspeptidase 5; Leukotriene-C4 hydrolase

Alternative UPACC:

P36269; Q53XM9; Q6GMP0; Q96FC1; Q9UFM5

Background:

Glutathione hydrolase 5 proenzyme, also known as Gamma-glutamyltransferase 5, plays a crucial role in cellular processes by cleaving the gamma-glutamyl peptide bond of glutathione and its conjugates. This enzyme is pivotal in maintaining cellular redox balance and metabolizing leukotrienes, substances involved in inflammatory responses. Its ability to catalyze both hydrolysis and transpeptidation reactions underscores its versatility in biochemical pathways.

Therapeutic significance:

Understanding the role of Glutathione hydrolase 5 proenzyme could open doors to potential therapeutic strategies. Its involvement in cleaving bioactive compounds and regulating immune responses highlights its potential as a target in treating diseases related to oxidative stress and inflammation.

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