Focused On-demand Library for Palmitoyltransferase ZDHHC9

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

We employ our advanced, specialised process to create 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9Y397

UPID:

ZDHC9_HUMAN

Alternative names:

Zinc finger DHHC domain-containing protein 9; Zinc finger protein 379; Zinc finger protein 380

Alternative UPACC:

Q9Y397; B4F6G2; D3DTF9; Q59EK4; Q5JSW5; Q8WWS7; Q9BPY4; Q9NSP0; Q9NVL0; Q9NVR6

Background:

Palmitoyltransferase ZDHHC9, also known as Zinc finger protein 379 or 380, plays a crucial role in cellular processes by catalyzing the addition of palmitate onto proteins like HRAS and NRAS. Its activity extends to the beta-2 adrenergic receptor, influencing G protein-coupled receptor signaling. Additionally, ZDHHC9 is pivotal in the palmitoylation of the SARS-CoV-2 spike protein, enhancing viral fusion and infectivity.

Therapeutic significance:

ZDHHC9's involvement in Intellectual developmental disorder, X-linked, syndromic, Raymond type, underscores its potential as a therapeutic target. Understanding the role of Palmitoyltransferase ZDHHC9 could open doors to potential therapeutic strategies.