Focused On-demand Library for Glycerophosphodiester phosphodiesterase domain-containing protein 4

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.

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 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q6W3E5

UPID:

GDPD4_HUMAN

Alternative names:

Glycerophosphodiester phosphodiesterase 6; UgpQ

Alternative UPACC:

Q6W3E5; Q7Z5B0

Background:

Glycerophosphodiester phosphodiesterase domain-containing protein 4, also known as Glycerophosphodiester phosphodiesterase 6 or UgpQ, plays a crucial role in cellular processes by breaking down glycerophosphodiesters to produce glycerol-3-phosphate and alcohol. This enzymatic activity is vital for the metabolism and recycling of phospholipids, contributing to cellular homeostasis and signaling.

Therapeutic significance:

Understanding the role of Glycerophosphodiester phosphodiesterase domain-containing protein 4 could open doors to potential therapeutic strategies. Its involvement in phospholipid metabolism suggests a foundational role in cellular health, making it a target of interest for drug discovery efforts aimed at metabolic and signaling disorders.