Focused On-demand Library for Palmitoyltransferase ZDHHC2

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the 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.