Focused On-demand Library for Glycine amidinotransferase, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P50440

UPID:

GATM_HUMAN

Alternative names:

L-arginine:glycine amidinotransferase; Transamidinase

Alternative UPACC:

P50440; B4DH99; B4DPI3; Q53EQ4

Background:

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.