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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

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.