Focused On-demand Library for Palmitoyltransferase ZDHHC23

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.

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.

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

Q8IYP9

UPID:

ZDH23_HUMAN

Alternative names:

Zinc finger DHHC domain-containing protein 23

Alternative UPACC:

Q8IYP9; D3DN76

Background:

Palmitoyltransferase ZDHHC23, also known as Zinc finger DHHC domain-containing protein 23, 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 key for the localization and function of proteins within the cell, including KCNMA1, which is essential for plasma membrane dynamics, and NOS1, involved in synaptic signaling.

Therapeutic significance:

Understanding the role of Palmitoyltransferase ZDHHC23 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes and protein regulation highlights its potential as a target for drug discovery, aiming to modulate cellular functions and address diseases with underlying cellular dysregulation.