Focused On-demand Library for Histone deacetylase 2

Focused On-demand Libraries - Receptor.AI Collaboration


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 Reaxense.


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 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q92769

UPID:
HDAC2_HUMAN

ALTERNATIVE NAMES:
Protein deacylase HDAC2

ALTERNATIVE UPACC:
Q92769; B3KRS5; B4DL58; E1P561; Q5SRI8; Q5SZ86; Q8NEH4

BACKGROUND:
Histone deacetylase 2, identified by the alternative name Protein deacylase HDAC2, is crucial for epigenetic repression via histone deacetylation. It is involved in transcriptional regulation, cell cycle control, and developmental events through the formation of multiprotein complexes. HDAC2 also deacetylates non-histone targets, playing a role in the transcriptional repression of circadian target genes and mediating transcriptional corepression.

THERAPEUTIC SIGNIFICANCE:
The exploration of Histone deacetylase 2's function offers a promising avenue for the development of novel therapeutic approaches. Its central role in transcriptional regulation and epigenetic modifications presents an opportunity for targeting HDAC2 in therapeutic strategies aimed at correcting dysregulated gene expression.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 7414 of 8789