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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
O43678
UPID:
NDUA2_HUMAN
Alternative names:
Complex I-B8; NADH-ubiquinone oxidoreductase B8 subunit
Alternative UPACC:
O43678; D6RJD6; Q6IAY8
Background:
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2, also known as Complex I-B8 or NADH-ubiquinone oxidoreductase B8 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:
The protein is implicated in Mitochondrial complex I deficiency, nuclear type 13, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births. This disease manifests in various severities, from lethal neonatal disease to adult-onset neurodegenerative disorders. Understanding the role of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 could open doors to potential therapeutic strategies for these conditions.