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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O15239
UPID:
NDUA1_HUMAN
Alternative names:
Complex I-MWFE; NADH-ubiquinone oxidoreductase MWFE subunit
Alternative UPACC:
O15239
Background:
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1, also known as Complex I-MWFE, 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 being the immediate electron acceptor.
Therapeutic significance:
The protein is implicated in Mitochondrial complex I deficiency, nuclear type 12, a condition with a spectrum of severity affecting 1 in 5-10000 live births. This disorder encompasses a range of phenotypes, from lethal neonatal disease to adult-onset neurodegenerative disorders, highlighting the protein's potential as a target for therapeutic intervention.