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 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
O75380
UPID:
NDUS6_HUMAN
Alternative names:
Complex I-13kD-A; NADH-ubiquinone oxidoreductase 13 kDa-A subunit
Alternative UPACC:
O75380
Background:
NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial, also known as Complex I-13kD-A or NADH-ubiquinone oxidoreductase 13 kDa-A subunit, plays a crucial role in cellular energy production. It serves as an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), facilitating the transfer of electrons from NADH to the respiratory chain, with ubiquinone as the immediate electron acceptor.
Therapeutic significance:
Given its pivotal role in mitochondrial function, mutations affecting this protein are linked to Mitochondrial complex I deficiency, nuclear type 9, a condition with a spectrum of clinical manifestations including neurodegenerative disorders and cardiomyopathy. Understanding the role of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6 could open doors to potential therapeutic strategies for these mitochondrial disorders.