Focused On-demand Library for Palmitoyltransferase ZDHHC3

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.

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 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 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

Q9NYG2

UPID:

ZDHC3_HUMAN

Alternative names:

Acyltransferase ZDHHC3; Protein DHHC1; Zinc finger DHHC domain-containing protein 3

Alternative UPACC:

Q9NYG2; Q53A17; Q96BL0

Background:

Palmitoyltransferase ZDHHC3, also known as Acyltransferase ZDHHC3 or Zinc finger DHHC domain-containing protein 3, is a versatile enzyme that catalyzes the addition of palmitate and other fatty acids onto protein substrates. This process, known as palmitoylation, is crucial for the proper localization, expression, and function of various proteins, including G protein-coupled receptors, integrins, and neuronal proteins such as GAP43 and GABRG2. ZDHHC3's activity influences GABAergic synaptic function, cell adhesion, and apoptotic signaling pathways.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC3 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes and signaling pathways highlights its potential as a target for drug discovery efforts aimed at treating neurological disorders, cancer, and diseases related to cell adhesion and apoptosis.