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

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

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.