Focused On-demand Library for Polyamine deacetylase HDAC10

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q969S8

UPID:
HDA10_HUMAN

ALTERNATIVE NAMES:
Histone deacetylase 10

ALTERNATIVE UPACC:
Q969S8; Q08AP4; Q6STF9; Q96P77; Q96P78; Q9H028; Q9UGX1; Q9UGX2

BACKGROUND:
The enzyme Polyamine deacetylase HDAC10, also recognized as Histone deacetylase 10, plays a pivotal role in cellular processes through its polyamine deacetylase activity, primarily targeting N(8)-acetylspermidine. Its enzymatic activity extends to acetylcadaverine and acetylputrescine, with reduced efficacy towards diacetylspermidine and negligible activity on N(1)-acetylspermidine. HDAC10's involvement in histone deacetylation, despite being observed in vitro, suggests a potential regulatory role in gene expression. The protein's functions in MSH2 deacetylation, autophagy, particularly in the context of neuroblastoma cells, and homologous recombination, underscore its significance in cellular maintenance and DNA repair mechanisms.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Polyamine deacetylase HDAC10 could open doors to potential therapeutic strategies.

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