Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We utilise our cutting-edge, exclusive workflow to develop 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NX14
UPID:
NDUBB_HUMAN
Alternative names:
Complex I-ESSS; NADH-ubiquinone oxidoreductase ESSS subunit; Neuronal protein 17.3
Alternative UPACC:
Q9NX14; Q5JRR3; Q5JRR4; Q6IAB6; Q8WZ96; Q9BXX9
Background:
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial, also known as Complex I-ESSS, 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 Linear skin defects with multiple congenital anomalies 3 and Mitochondrial complex I deficiency, nuclear type 30, diseases characterized by a wide range of clinical manifestations including neurological and cardiac abnormalities. Understanding the role of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial could open doors to potential therapeutic strategies.