Focused On-demand Library for Palmitoyltransferase ZDHHC20

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

Q5W0Z9

UPID:

ZDH20_HUMAN

Alternative names:

Acyltransferase ZDHHC20; DHHC domain-containing cysteine-rich protein 20; Zinc finger DHHC domain-containing protein 20

Alternative UPACC:

Q5W0Z9; A8MTV9; C9JG20; I6L9D4; Q2TB82; Q6NVU8

Background:

Palmitoyltransferase ZDHHC20, also known as Acyltransferase ZDHHC20, plays a crucial role in cellular processes through its ability to catalyze the addition of palmitate onto various protein substrates. This enzyme specifically targets the Cys residues in the cytoplasmic C-terminus of EGFR, modulating the duration of EGFR signaling by influencing its internalization and degradation. ZDHHC20 exhibits a preference for acyl-CoA with C16 fatty acid chains, although it can also utilize C14 and C18 chains.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC20 could open doors to potential therapeutic strategies. Its involvement in modulating EGFR signaling and the lipidation of SARS-CoV-2 spike protein highlights its potential as a target in cancer therapy and antiviral treatments.