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:
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.