Focused On-demand Library for Palmitoyltransferase ZDHHC3

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
Q9NYG2

UPID:
ZDHC3_HUMAN

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

ALTERNATIVE UPACC:
Q9NYG2; Q53A17; Q96BL0

BACKGROUND:
The enzyme Palmitoyltransferase ZDHHC3 plays a pivotal role in the dynamic regulation of proteins through palmitoylation, affecting their membrane association and functional activities. It is involved in a wide array of cellular processes, including G protein-coupled receptor signaling, integrin-mediated cell adhesion, and the formation of GABAergic synapses. ZDHHC3's ability to modify various proteins, such as ITGA6, ITGB4, TNFRSF10A, and neuronal proteins, underscores its significance in cellular signaling and synaptic function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Palmitoyltransferase ZDHHC3 holds promise for unveiling novel therapeutic avenues. Given its central role in modulating protein localization and function, targeting ZDHHC3 could lead to innovative treatments for diseases linked to synaptic dysfunction, impaired cell adhesion, and aberrant signaling pathways.

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