Focused On-demand Library for Polycomb protein EED

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

O75530

UPID:

EED_HUMAN

Alternative names:

Embryonic ectoderm development protein; WD protein associating with integrin cytoplasmic tails 1

Alternative UPACC:

O75530; A8K7V5; O00149; Q6NTH2; Q7LDA5; Q7LDG8; Q86VV2; Q9UNY7

Background:

Polycomb protein EED, also known as Embryonic ectoderm development protein, plays a crucial role in chromatin remodeling and gene silencing through its participation in the PRC2/EED-EZH2 complex. This complex is responsible for the methylation of histone H3 on Lys-9 and Lys-27, leading to transcriptional repression of target genes such as HOXC8, HOXA9, MYT1, and CDKN2A.

Therapeutic significance:

The involvement of Polycomb protein EED in Cohen-Gibson syndrome, a disorder characterized by overgrowth and skeletal abnormalities, underscores its potential as a target for therapeutic intervention. Understanding the role of Polycomb protein EED could open doors to potential therapeutic strategies.