Focused On-demand Library for Palmitoyltransferase ZDHHC2

Details

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 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.


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 top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q9UIJ5

UPID:
ZDHC2_HUMAN

ALTERNATIVE NAMES:
Acyltransferase ZDHHC2; Reduced expression associated with metastasis protein; Reduced expression in cancer protein; Zinc finger DHHC domain-containing protein 2; Zinc finger protein 372

ALTERNATIVE UPACC:
Q9UIJ5; D3DSP5

BACKGROUND:
Acyltransferase ZDHHC2, also known as Zinc finger DHHC domain-containing protein 2, is integral to various cellular mechanisms through its enzyme activity. It mediates the palmitoylation of proteins like AKAP5, DLG4, and RGS7BP, which are essential for synaptic function and neuronal signaling. ZDHHC2's ability to modify the localization and function of proteins such as CD9, CD151, and CKAP4 further illustrates its critical role in cell adhesion and membrane dynamics. Moreover, its contribution to Chikungunya virus replication by mediating viral nsp1 palmitoylation indicates its potential impact on microbial infections.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Acyltransferase ZDHHC2 could open doors to potential therapeutic strategies.

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