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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y6N5
UPID:
SQOR_HUMAN
Alternative names:
Sulfide dehydrogenase-like; Sulfide quinone oxidoreductase
Alternative UPACC:
Q9Y6N5; Q9UQM8
Background:
Sulfide:quinone oxidoreductase, mitochondrial, also known as sulfide dehydrogenase-like or sulfide quinone oxidoreductase, plays a crucial role in hydrogen sulfide metabolism. It catalyzes the oxidation of hydrogen sulfide into thiosulfate and sulfane atoms, utilizing quinones like ubiquinone-10 and requiring an electron acceptor, potentially glutathione in vivo.
Therapeutic significance:
The protein is linked to Sulfide:quinone oxidoreductase deficiency, an autosomal recessive disorder with a spectrum from encephalopathy and Leigh syndrome manifestations to asymptomatic cases. This association highlights its potential as a target for therapeutic strategies in treating or managing this metabolic disorder.