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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
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.