Focused On-demand Library for Palmitoyltransferase ZDHHC5

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q9C0B5

UPID:

ZDHC5_HUMAN

Alternative names:

Zinc finger DHHC domain-containing protein 5; Zinc finger protein 375

Alternative UPACC:

Q9C0B5; Q2TGF0; Q6ZMF0; Q8TAK8; Q9H923; Q9UFI7

Background:

Palmitoyltransferase ZDHHC5, also known as Zinc finger DHHC domain-containing protein 5 or Zinc finger protein 375, is a crucial enzyme in the post-translational modification of proteins. It catalyzes the addition of palmitate, a type of fatty acid, onto various protein substrates including CTNND2, CD36, and STAT3. This modification plays a pivotal role in numerous biological processes such as cell adhesion, fatty acid uptake, and the innate immune response. ZDHHC5's activity is regulated through phosphorylation, which influences its interaction with proteins and its localization within the cell.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC5 could open doors to potential therapeutic strategies. Its involvement in critical cellular functions and the immune response highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.