Focused On-demand Library for Glycine amidinotransferase, mitochondrial

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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.







Alternative names:

L-arginine:glycine amidinotransferase; Transamidinase

Alternative UPACC:

P50440; B4DH99; B4DPI3; Q53EQ4


Glycine amidinotransferase, mitochondrial, also known as L-arginine:glycine amidinotransferase or Transamidinase, plays a pivotal role in creatine biosynthesis. This enzyme catalyzes the transfer of the amidino group from L-arginine to various acceptors, including glycine, facilitating the production of guanidinoacetate, the precursor to creatine. Creatine is crucial for ATP generation in high-demand tissues such as skeletal muscle, heart, and brain.

Therapeutic significance:

Mutations in the gene encoding Glycine amidinotransferase are linked to Cerebral creatine deficiency syndrome 3 and Fanconi renotubular syndrome 1. These conditions underscore the enzyme's critical role in metabolic pathways and highlight the potential for targeted therapeutic strategies to address the underlying genetic variants.

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