AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glycerophosphodiester phosphodiesterase 1

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Q9NZC3

UPID:

GDE1_HUMAN

Alternative names:

Glycerophosphoinositol glycerophosphodiesterase GDE1; Lysophospholipase D GDE1; Membrane-interacting protein of RGS16; RGS16-interacting membrane protein

Alternative UPACC:

Q9NZC3; O43334; Q6PKF7; Q7KYR4

Background:

Glycerophosphodiester phosphodiesterase 1 (GDE1) plays a crucial role in cellular metabolism by hydrolyzing glycerophosphodiesters to yield glycerol phosphate and an alcohol. It is involved in the biosynthesis of bioactive N-acylethanolamines, including anandamide, N-palmitoylethanolamine, and N-oleoylethanolamine, which are critical for brain function. GDE1's activity extends to lysophospholipase D, albeit at a lower rate, contributing to its multifaceted role in biological systems.

Therapeutic significance:

Understanding the role of Glycerophosphodiester phosphodiesterase 1 could open doors to potential therapeutic strategies.

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