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.
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 top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P56524
UPID:
HDAC4_HUMAN
Alternative names:
-
Alternative UPACC:
P56524; E9PGB9; F5GX36; Q86YH7; Q9UND6
Background:
Histone deacetylase 4 (HDAC4) plays a pivotal role in the deacetylation of lysine residues on core histones, marking it as a key player in epigenetic regulation. Its involvement extends to transcriptional regulation, cell cycle progression, and developmental events through the formation of large multiprotein complexes. HDAC4's interaction with myocyte enhancer factors underscores its significance in muscle maturation, while its role in breast cancer through MTA1-mediated epigenetic regulation of ESR1 expression highlights its impact on disease.
Therapeutic significance:
Given its involvement in neurodevelopmental disorder with central hypotonia and dysmorphic facies, targeting HDAC4 presents a promising avenue for therapeutic intervention. Understanding the role of Histone deacetylase 4 could open doors to potential therapeutic strategies, offering hope for patients suffering from this genetic condition.