Focused On-demand Library for Mitochondrial glycine transporter

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q96DW6

UPID:

S2538_HUMAN

Alternative names:

Appoptosin; Mitochondrial glycine transporter GlyC; Solute carrier family 25 member 38

Alternative UPACC:

Q96DW6; A1LP07; Q9NWX2

Background:

The Mitochondrial glycine transporter, also known as Appoptosin or Solute carrier family 25 member 38, plays a crucial role in heme biosynthesis by importing glycine into the mitochondrial matrix. This process is vital for the production of 5-aminolevulinate (ALA), a key precursor in heme formation, which is essential for erythropoiesis. Additionally, it functions as a pro-apoptotic protein, inducing caspase-dependent apoptosis.

Therapeutic significance:

Given its involvement in pyridoxine-refractory sideroblastic anemia 2, a condition characterized by anemia, systemic iron overload, and ineffective erythropoiesis, targeting the Mitochondrial glycine transporter could offer new therapeutic avenues. Understanding its role could open doors to potential therapeutic strategies, especially in treating disorders of erythropoiesis and iron metabolism.