Focused On-demand Library for Lysine-specific demethylase PHF2

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

O75151

UPID:

PHF2_HUMAN

Alternative names:

GRC5; PHD finger protein 2

Alternative UPACC:

O75151; Q4VXG0; Q8N3K2; Q9Y6N4

Background:

Lysine-specific demethylase PHF2, also known as GRC5, plays a pivotal role in epigenetic regulation by demethylating histones and non-histone proteins. This enzyme, initially inactive, is activated upon phosphorylation by PKA, leading to the formation of a complex with ARID5B. This complex is crucial for the demethylation of ARID5B, targeting the PHF2-ARID5B complex to promoters, where PHF2 facilitates transcription activation by demethylating dimethylated 'Lys-9' of histone H3. Additionally, PHF2 acts as a coactivator of HNF4A in the liver and is involved in the activation of inflammatory genes in macrophages by demethylating trimethylated histone H4 lysine 20.

Therapeutic significance:

Understanding the role of Lysine-specific demethylase PHF2 could open doors to potential therapeutic strategies.