Focused On-demand Library for PR domain zinc finger protein 5

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 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NQX1

UPID:

PRDM5_HUMAN

Alternative names:

PR domain-containing protein 5

Alternative UPACC:

Q9NQX1; Q0VAI9; Q0VAJ0; Q6NXQ7

Background:

PR domain zinc finger protein 5, also known as PR domain-containing protein 5, plays a crucial role in gene expression regulation. It functions as a sequence-specific DNA-binding transcription factor, repressing transcription through recruitment of histone methyltransferase EHMT2/G9A and histone deacetylases like HDAC1. It is pivotal in regulating hematopoiesis-associated protein-coding and microRNA genes, influencing extracellular matrix development, including collagen production and cell migration.

Therapeutic significance:

Linked to Brittle cornea syndrome 2, a disorder characterized by corneal thinning and rupture, blue sclerae, and hypermobile joints, PR domain zinc finger protein 5's gene variants are crucial. Understanding its role could unveil new therapeutic strategies for this syndrome and potentially other connective tissue disorders.