Focused On-demand Library for Klotho

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

Q9UEF7

UPID:

KLOT_HUMAN

Alternative names:

Alternative UPACC:

Q9UEF7; Q5VZ95; Q96KV5; Q96KW5; Q9UEI9; Q9Y4F0

Background:

Klotho, identified by its gene symbol Q9UEF7, plays a pivotal role in calcium and phosphorus homeostasis, potentially through its involvement in the regulation of vitamin D synthesis. It exhibits a unique function by facilitating the specific interaction between FGF23 and FGFR1, crucial for mineral metabolism. Additionally, Klotho may possess glycosidase activity towards glucuronylated steroids, despite lacking key active site residues, suggesting a non-enzymatic role in vivo.

Therapeutic significance:

Klotho's association with Tumoral calcinosis, hyperphosphatemic, familial, 3, underscores its therapeutic potential. This rare metabolic disorder, characterized by hyperphosphatemia and calcium deposits, highlights the protein's significance in mineral metabolism disorders. Understanding Klotho's role could pave the way for innovative treatments targeting calcium and phosphorus homeostasis.