Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create 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
O43676
UPID:
NDUB3_HUMAN
Alternative names:
Complex I-B12; NADH-ubiquinone oxidoreductase B12 subunit
Alternative UPACC:
O43676; Q6IB80
Background:
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3, also known as Complex I-B12, plays a crucial role in cellular energy production. It is 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:
The protein is implicated in Mitochondrial complex I deficiency, nuclear type 25, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births. This disease spectrum includes severe neurodegenerative disorders and cardiomyopathy, highlighting the protein's potential as a target for therapeutic intervention.