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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P19404
UPID:
NDUV2_HUMAN
Alternative names:
NADH-ubiquinone oxidoreductase 24 kDa subunit
Alternative UPACC:
P19404; Q9BV41
Background:
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial, also known as the 24 kDa subunit, plays a pivotal role in cellular energy production. It is a core component of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), facilitating electron transfer from NADH to ubiquinone. This process is crucial for the generation of ATP, the cell's energy currency.
Therapeutic significance:
The protein is linked to Mitochondrial complex I deficiency, nuclear type 7, 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.