Focused On-demand Library for Serine hydroxymethyltransferase, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.







Alternative names:

Glycine hydroxymethyltransferase; Serine methylase

Alternative UPACC:

P34897; B7Z9F1; E7EQ19; E7EU43; O00740; Q8N1A5


Serine hydroxymethyltransferase, mitochondrial, also known as Glycine hydroxymethyltransferase or Serine methylase, plays a pivotal role in cellular metabolism. It catalyzes the conversion of serine to glycine, producing 5,10-methylenetetrahydrofolate, crucial for purine biosynthesis and mitochondrial DNA synthesis. This enzyme's activity is fundamental for maintaining the mitochondrial genome's integrity and supporting mitochondrial translation by providing methyl donors for tRNA modifications.

Therapeutic significance:

The protein is implicated in a neurodevelopmental disorder with cardiomyopathy, spasticity, and brain abnormalities, highlighting its critical role in human health. Understanding the role of Serine hydroxymethyltransferase could open doors to potential therapeutic strategies for treating this complex disorder, offering hope for patients and families affected by these severe conditions.

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