Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q969S8
UPID:
HDA10_HUMAN
Alternative names:
Histone deacetylase 10
Alternative UPACC:
Q969S8; Q08AP4; Q6STF9; Q96P77; Q96P78; Q9H028; Q9UGX1; Q9UGX2
Background:
Polyamine deacetylase HDAC10, alternatively known as Histone deacetylase 10, is a crucial enzyme with a preference for N(8)-acetylspermidine. It exhibits activity towards acetylcadaverine and acetylputrescine, with limited action on diacetylspermidine and minimal to no activity on N(1)-acetylspermidine. Notably, it has been observed to possess histone deacetylase activity in vitro, suggesting a role in chromatin remodeling. Additionally, HDAC10 is implicated in MSH2 deacetylation, autophagy promotion, particularly in neuroblastoma cells, and homologous recombination, highlighting its multifaceted biological functions.
Therapeutic significance:
Understanding the role of Polyamine deacetylase HDAC10 could open doors to potential therapeutic strategies.