Focused On-demand Library for Palmitoyltransferase ZDHHC19

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

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

Q8WVZ1

UPID:

ZDH19_HUMAN

Alternative names:

Zinc finger DHHC domain-containing protein 19

Alternative UPACC:

Q8WVZ1; A0A0B4J1W2; A8MSY6; B3KVI1

Background:

Palmitoyltransferase ZDHHC19, also known as Zinc finger DHHC domain-containing protein 19, plays a crucial role in cellular processes through the palmitoylation of RRAS, enhancing cell viability. Additionally, it facilitates Chikungunya virus replication by mediating viral nsp1 palmitoylation, highlighting its role in microbial infection.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC19 could open doors to potential therapeutic strategies, especially in targeting viral infections and regulating cell viability.