Focused On-demand Library for Histone deacetylase 7

Focused On-demand Libraries - Reaxense 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 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 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 sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8WUI4

UPID:

HDAC7_HUMAN

Alternative names:

Histone deacetylase 7A

Alternative UPACC:

Q8WUI4; B3KY08; B4DWI0; B4E0Q5; Q6P1W9; Q6W9G7; Q7Z4K2; Q7Z5I1; Q96K01; Q9BR73; Q9H7L0; Q9NW41; Q9NWA9; Q9NYK9; Q9UFU7

Background:

Histone deacetylase 7 (HDAC7), also known as Histone deacetylase 7A, plays a pivotal role in the deacetylation of lysine residues on core histones, marking them for epigenetic repression. This process is crucial for transcriptional regulation, cell cycle progression, and developmental events. HDAC7 is involved in muscle maturation by repressing myocyte enhancer factors and participates in viral latency and inflammatory responses through its interaction with various proteins.

Therapeutic significance:

Understanding the role of Histone deacetylase 7 could open doors to potential therapeutic strategies. Its involvement in transcriptional regulation and cell cycle progression highlights its potential as a target in cancer therapy. Additionally, its role in muscle differentiation and inflammatory responses suggests therapeutic possibilities in muscle degenerative diseases and inflammatory conditions.