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.

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.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

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.