Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BY41
UPID:
HDAC8_HUMAN
Alternative names:
Protein deacetylase HDAC8; Protein decrotonylase HDAC8
Alternative UPACC:
Q9BY41; A6ND12; A6ND61; A6NET3; A6NJR3; A8MQ62; B4DKN0; B4DV22; Q86VC8; Q9NP76; Q9NYH4
Background:
Histone deacetylase 8 (HDAC8), alternatively known as Protein deacetylase HDAC8 or Protein decrotonylase HDAC8, plays a pivotal role in the deacetylation of lysine residues on core histones, influencing epigenetic repression, transcriptional regulation, cell cycle progression, and developmental events. Its activity extends to the deacetylation of cohesin complex protein SMC3, impacting chromatin structure and function.
Therapeutic significance:
HDAC8's involvement in Cornelia de Lange syndrome 5, a developmental disorder marked by a spectrum of systemic malformations, underscores its potential as a therapeutic target. Understanding the role of HDAC8 could open doors to potential therapeutic strategies for this and related conditions.