AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Palmitoyltransferase ZDHHC2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening 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.

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

Reaxense

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:

Palmitoyltransferase ZDHHC2, known for its versatility, catalyzes the addition of palmitate onto various proteins, impacting cellular processes significantly. Its ability to transfer not only palmitate but also myristate and stearate onto target proteins underscores its broad substrate specificity. ZDHHC2 plays a pivotal role in the nervous system, particularly in synaptic potentiation and protein trafficking, by palmitoylating AKAP5. It also influences synaptic clustering of DLG4 and AMPA-type glutamate receptors, and the localization of RGS7BP to the plasma membrane, which is crucial for G protein-coupled receptor signaling. Additionally, ZDHHC2's involvement in cell adhesion and the regulation of CD9 and CD151 expression highlights its multifunctional nature.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC2 could open doors to potential therapeutic strategies.

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