Focused On-demand Library for Bifunctional peptidase and arginyl-hydroxylase JMJD5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q8N371

UPID:

KDM8_HUMAN

Alternative names:

JmjC domain-containing protein 5; Jumonji C domain-containing protein 5; L-arginine (3R)-hydroxylase KDM8

Alternative UPACC:

Q8N371; B4DLU9; Q6VAK5; Q9H8B1

Background:

Bifunctional peptidase and arginyl-hydroxylase JMJD5, also known as JmjC domain-containing protein 5, plays a pivotal role in cellular processes through its dual enzymatic activities. It acts as an endopeptidase, cleaving histones to facilitate transcription elongation, and as a monooxygenase, involved in post-translational modifications. Its ability to regulate mitosis, cell cycle progression, and epithelial to mesenchymal transition underscores its importance in cellular homeostasis.

Therapeutic significance:

Understanding the role of Bifunctional peptidase and arginyl-hydroxylase JMJD5 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as cell cycle regulation and transcriptional repression highlights its potential as a target in cancer therapy and other diseases where cell proliferation is dysregulated.