Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Our top-notch dedicated system is used to design specialised 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
P58005
UPID:
SESN3_HUMAN
Alternative names:
-
Alternative UPACC:
P58005; B7Z7P9; Q96AD1
Background:
Sestrin-3, encoded by the gene with accession number P58005, plays a pivotal role in cellular metabolism and stress response. It acts as an intracellular leucine sensor, negatively regulating the TORC1 signaling pathway, crucial for cell growth and proliferation. Additionally, Sestrin-3 is involved in the insulin-receptor signaling pathway via TORC2 activation, highlighting its importance in metabolic regulation. Its potential in mitigating oxidative and genotoxic stresses, alongside preventing reactive oxygen species accumulation through its alkylhydroperoxide reductase activity, underscores its protective cellular functions.
Therapeutic significance:
Understanding the role of Sestrin-3 could open doors to potential therapeutic strategies, particularly in conditions where metabolic regulation and stress response are compromised.