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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O75251
UPID:
NDUS7_HUMAN
Alternative names:
Complex I-20kD; NADH-ubiquinone oxidoreductase 20 kDa subunit; PSST subunit
Alternative UPACC:
O75251; B3KRI2; Q2T9H7; Q9BV17
Background:
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial, also known as Complex I-20kD, 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:
The protein is linked to Mitochondrial complex I deficiency, nuclear type 3, a condition with autosomal recessive inheritance. This disease manifests in various severities, from lethal neonatal disease to adult-onset neurodegenerative disorders, highlighting the protein's potential as a target for therapeutic intervention.