Focused On-demand Library for Mitochondrial glycine transporter

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


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.

PARTNER
Receptor.AI
 
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 protein known as Mitochondrial glycine transporter, with alternative names Appoptosin and Solute carrier family 25 member 38, is integral to the mitochondrial import of glycine. This action facilitates the synthesis of 5-aminolevulinate (ALA), initiating heme production necessary for red blood cell development. Its secondary role involves triggering caspase-dependent apoptosis, highlighting its importance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Its critical function in the pathogenesis of pyridoxine-refractory sideroblastic anemia 2 underscores the therapeutic potential of the Mitochondrial glycine transporter. By elucidating its mechanisms, researchers can pave the way for innovative treatments targeting erythropoiesis and iron overload disorders, offering hope for patients with hematologic conditions.

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