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. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P58004
UPID:
SESN2_HUMAN
Alternative names:
Hypoxia-induced gene
Alternative UPACC:
P58004; Q5T7D0; Q96SI5
Background:
Sestrin-2, also known as Hypoxia-induced gene, is a crucial intracellular leucine sensor that modulates the TORC1 signaling pathway via the GATOR complex. It plays a pivotal role in cellular responses to nutritional status, stress, and environmental cues by regulating protein translation and oxidative stress resistance. Its interaction with GATOR2 and subsequent impact on TORC1 signaling is leucine-dependent, highlighting its function in metabolic regulation.
Therapeutic significance:
Understanding the role of Sestrin-2 could open doors to potential therapeutic strategies. Its involvement in stress responses, particularly in oxidative stress and genotoxic stresses, alongside its regulatory role in the TORC1 signaling pathway, positions it as a key target for interventions in metabolic disorders and diseases linked to cellular stress mechanisms.