Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9ULM3
UPID:
YETS2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9ULM3; A7E2B9; D3DNS9; Q641P6; Q9NW96
Background:
YEATS domain-containing protein 2 plays a pivotal role in chromatin modification and gene expression. As part of the ATAC complex, it exhibits histone acetyltransferase activity, crucial for transcriptional activation. Specifically, it binds to crotonylated lysine 27 on histone H3, marking active gene promoters and enhancers.
Therapeutic significance:
Given its involvement in Epilepsy, familial adult myoclonic, 4 (FAME4), understanding the role of YEATS domain-containing protein 2 could open doors to potential therapeutic strategies for this and possibly other neurological disorders.