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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
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.