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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y6P5
UPID:
SESN1_HUMAN
Alternative names:
p53-regulated protein PA26
Alternative UPACC:
Q9Y6P5; Q2M2B7; Q5T316; Q9NV00; Q9UPD5; Q9Y6P6
Background:
Sestrin-1, also known as p53-regulated protein PA26, is a crucial intracellular leucine sensor that modulates the TORC1 signaling pathway via the GATOR complex. It inhibits TORC1 signaling in the absence of leucine by interacting with the GATOR2 subcomplex. Upon leucine binding, Sestrin-1's interaction with GATOR2 is disrupted, activating TORC1 signaling. This protein is also implicated in oxidative and genotoxic stress protection, potentially regulating oxidative stress response genes through NFE2L2 transcription activation and facilitating autophagic degradation of KEAP1.
Therapeutic significance:
Understanding the role of Sestrin-1 could open doors to potential therapeutic strategies.