Focused On-demand Library for ATP-dependent Clp protease ATP-binding subunit clpX-like, mitochondrial

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

O76031

UPID:

CLPX_HUMAN

Alternative names:

Alternative UPACC:

O76031; A1L428; A8K8F1; B9EGI8; Q9H4D9

Background:

The ATP-dependent Clp protease ATP-binding subunit clpX-like, mitochondrial, plays a crucial role in cellular homeostasis by targeting specific substrates for degradation. It functions both as a part of the Clp protease complex, facilitating the breakdown of proteins, and independently as a chaperone. This protein is vital for mitochondrial integrity, assisting in DNA-binding activities and maintaining mitochondrial nucleoid structure. It also activates heme biosynthesis by enabling the incorporation of the pyridoxal phosphate cofactor into 5-aminolevulinate synthase, a key step in erythropoiesis.

Therapeutic significance:

Given its pivotal role in heme biosynthesis and mitochondrial function, the ATP-dependent Clp protease ATP-binding subunit clpX-like, mitochondrial, is linked to Protoporphyria, erythropoietic, 2, a disorder of porphyrin accumulation. Understanding the role of this protein could open doors to potential therapeutic strategies for treating this and related disorders.