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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q92769
UPID:
HDAC2_HUMAN
Alternative names:
Protein deacylase HDAC2
Alternative UPACC:
Q92769; B3KRS5; B4DL58; E1P561; Q5SRI8; Q5SZ86; Q8NEH4
Background:
Histone deacetylase 2 (HDAC2), also known as Protein deacylase HDAC2, plays a pivotal role in the deacetylation of lysine residues on core histones, affecting transcriptional regulation, cell cycle progression, and developmental events. It forms part of large multiprotein complexes, contributing to transcriptional repression and chromatin remodeling. HDAC2's activity extends beyond histones, impacting non-histone targets and influencing transcriptional repressor activities.
Therapeutic significance:
Understanding the role of Histone deacetylase 2 could open doors to potential therapeutic strategies. Its involvement in key biological processes and gene expression regulation highlights its potential as a target for therapeutic intervention in diseases where these pathways are dysregulated.