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.
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 use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O00217
UPID:
NDUS8_HUMAN
Alternative names:
Complex I-23kD; NADH-ubiquinone oxidoreductase 23 kDa subunit; TYKY subunit
Alternative UPACC:
O00217; B2RB86; Q0VDA8
Background:
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial, also known as Complex I-23kD, plays a pivotal role in cellular energy production. As a core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), it is crucial for electron transfer from NADH through the respiratory chain, utilizing ubiquinone as an electron acceptor.
Therapeutic significance:
Linked to Mitochondrial complex I deficiency, nuclear type 2, a condition with a spectrum of disorders from lethal neonatal disease to adult-onset neurodegenerative disorders, understanding the role of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8 could open doors to potential therapeutic strategies.