Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9P032

UPID:

NDUF4_HUMAN

Alternative names:

Hormone-regulated proliferation-associated protein of 20 kDa

Alternative UPACC:

Q9P032; B2R4J5

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4, also known as Hormone-regulated proliferation-associated protein of 20 kDa, plays a crucial role in the assembly of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I). This protein is pivotal for cell proliferation and survival, particularly in hormone-dependent tumor cells, and may regulate breast tumor cell invasion.

Therapeutic significance:

Linked to Mitochondrial complex I deficiency, nuclear type 15, a condition with autosomal recessive inheritance, this protein's dysfunction manifests in a spectrum of disorders, including neurodegenerative diseases and cardiomyopathy. Understanding its role could pave the way for novel therapeutic strategies targeting mitochondrial disorders.