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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UJ68
UPID:
MSRA_HUMAN
Alternative names:
Peptide-methionine (S)-S-oxide reductase; Protein-methionine-S-oxide reductase
Alternative UPACC:
Q9UJ68; E9PAS8; Q52TC4; Q549N4; Q66MI7
Background:
Mitochondrial peptide methionine sulfoxide reductase, also known as Peptide-methionine (S)-S-oxide reductase and Protein-methionine-S-oxide reductase, plays a crucial role in cellular defense against oxidative stress. It repairs proteins inactivated by oxidation by catalyzing the reversible oxidation-reduction of methionine sulfoxide in proteins to methionine.
Therapeutic significance:
Understanding the role of Mitochondrial peptide methionine sulfoxide reductase could open doors to potential therapeutic strategies. Its pivotal function in oxidative stress response highlights its potential as a target for therapeutic intervention in diseases where oxidative damage is a key factor.