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:
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.