Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 subunit C2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O95298

UPID:

NDUC2_HUMAN

Alternative names:

Complex I-B14.5b; Human lung cancer oncogene 1 protein; NADH-ubiquinone oxidoreductase subunit B14.5b

Alternative UPACC:

O95298; E9PNU8; E9PRB2; Q549M5; Q6FIH8; Q9UBJ9

Background:

NADH dehydrogenase [ubiquinone] 1 subunit C2, also known as Complex I-B14.5b, plays a pivotal role in cellular energy production. It serves as an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), essential for complex assembly but not directly involved in catalysis. This protein facilitates the transfer of electrons from NADH to the respiratory chain, with ubiquinone acting as the immediate electron acceptor.

Therapeutic significance:

Mutations in this protein are linked to Mitochondrial complex I deficiency, nuclear type 36, a condition marked by global developmental delay, hypotonia, and failure to thrive from infancy. Understanding the role of NADH dehydrogenase [ubiquinone] 1 subunit C2 could open doors to potential therapeutic strategies for this and related mitochondrial disorders.