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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O95169
UPID:
NDUB8_HUMAN
Alternative names:
Complex I-ASHI; NADH-ubiquinone oxidoreductase ASHI subunit
Alternative UPACC:
O95169; A8K0L4; Q5W143; Q5W144; Q5W145; Q9UG53; Q9UJR4; Q9UQF3
Background:
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial, also known as Complex I-ASHI or NADH-ubiquinone oxidoreductase ASHI subunit, plays a crucial role in cellular energy production. It is an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), essential for transferring 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 32, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births. This disorder manifests in various severities, from lethal neonatal disease to adult-onset neurodegenerative disorders, highlighting the protein's potential as a target for therapeutic intervention.