Focused On-demand Library for CDGSH iron-sulfur domain-containing protein 3, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P0C7P0

UPID:

CISD3_HUMAN

Alternative names:

MitoNEET-related protein 2; Mitochondrial inner NEET protein

Alternative UPACC:

P0C7P0

Background:

CDGSH iron-sulfur domain-containing protein 3, mitochondrial, also known as MitoNEET-related protein 2 or Mitochondrial inner NEET protein, plays a crucial role in mitochondrial iron homeostasis. It transfers iron-sulfur clusters to apoferrodoxins FDX1 and FDX2, maintaining normal levels of free iron and reactive oxygen species, essential for mitochondrial function.

Therapeutic significance:

Understanding the role of CDGSH iron-sulfur domain-containing protein 3 could open doors to potential therapeutic strategies by ensuring the balance of iron and reactive oxygen species in mitochondria.