Focused On-demand Library for PR domain zinc finger protein 13

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.

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 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q9H4Q3

UPID:

PRD13_HUMAN

Alternative names:

PR domain-containing protein 13

Alternative UPACC:

Q9H4Q3; Q5TGC1; Q5TGC2

Background:

PR domain zinc finger protein 13, alternatively known as PR domain-containing protein 13, plays a pivotal role in the human body. It is involved in transcriptional regulation and is essential for the differentiation of KISS1-expressing neurons in the hypothalamus. Furthermore, it acts as a critical regulator of GABAergic cell fate in the cerebellum, ensuring normal postnatal development.

Therapeutic significance:

The protein is linked to severe neurological disorders, including cerebellar dysfunction with impaired intellectual development and hypogonadotropic hypogonadism, and pontocerebellar hypoplasia 17. These associations highlight its potential as a target for therapeutic intervention in these debilitating conditions.