AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitochondrial S-adenosylmethionine carrier protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q70HW3

UPID:

SAMC_HUMAN

Alternative names:

Solute carrier family 25 member 26

Alternative UPACC:

Q70HW3; A8K758; B3KRZ7; F8WAB8; Q7Z786; Q96E68

Background:

The Mitochondrial S-adenosylmethionine carrier protein, also known as Solute carrier family 25 member 26, plays a crucial role in cellular metabolism. It functions as a mitochondrial S-adenosyl-L-methionine/S-adenosyl-L-homocysteine antiporter, facilitating the exchange of vital methyl-group donors and by-products of methylation reactions. This process is essential for the methylation of macromolecules, a key biochemical pathway.

Therapeutic significance:

Linked to Combined oxidative phosphorylation deficiency 28, a mitochondrial disorder with symptoms ranging from metabolic decompensation to developmental delays, the protein's dysfunction underscores its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for mitochondrial diseases.

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