Focused On-demand Library for Palmitoyltransferase ZDHHC22

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8N966

UPID:

ZDH22_HUMAN

Alternative names:

Zinc finger DHHC domain-containing protein 22

Alternative UPACC:

Q8N966; A6NH02; B7Z2L5; Q149P4

Background:

Palmitoyltransferase ZDHHC22, also known as Zinc finger DHHC domain-containing protein 22, plays a crucial role in cellular processes through its enzymatic activity. It catalyzes the addition of palmitate, a type of fatty acid, onto various protein substrates. This modification is essential for the localization and function of proteins within the cell, including KCNMA1, which is regulated by ZDHHC22 for proper plasma membrane positioning.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC22 could open doors to potential therapeutic strategies. Its involvement in the palmitoylation process, which affects protein localization and function, highlights its potential as a target in diseases where these processes are disrupted.