Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key 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.