AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Thioredoxin-related transmembrane protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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.

partner

Reaxense

upacc

Q9Y320

UPID:

TMX2_HUMAN

Alternative names:

Cell proliferation-inducing gene 26 protein; Thioredoxin domain-containing protein 14

Alternative UPACC:

Q9Y320; B7Z4R4; Q53G73; Q561W0; Q5J7Q7; Q8NBP9; Q9H3L1

Background:

Thioredoxin-related transmembrane protein 2, also known as Cell proliferation-inducing gene 26 protein and Thioredoxin domain-containing protein 14, plays a pivotal role in cellular processes. It functions as a regulator of the cellular redox state, influencing protein post-translational modification, protein folding, and mitochondrial activity. This protein indirectly regulates neuronal proliferation, migration, and organization during brain development.

Therapeutic significance:

The protein is linked to a neurodevelopmental disorder characterized by microcephaly, cortical malformations, and spasticity. This association highlights its potential as a target for therapeutic intervention in treating or managing this debilitating condition.

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