AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Galectin-8

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 use our state-of-the-art dedicated workflow for designing focused 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

O00214

UPID:

LEG8_HUMAN

Alternative names:

Po66 carbohydrate-binding protein; Prostate carcinoma tumor antigen 1

Alternative UPACC:

O00214; O15215; Q5T3P5; Q5T3Q4; Q8TEV1; Q96B92; Q9BXC8; Q9H584; Q9H585; Q9UEZ6; Q9UP32; Q9UP33; Q9UP34

Background:

Galectin-8, identified by its alternative names Po66 carbohydrate-binding protein and Prostate carcinoma tumor antigen 1, is a beta-galactoside-binding lectin. It plays a crucial role in sensing membrane damage caused by infection, thereby restricting the proliferation of pathogens by targeting them for autophagy. Galectin-8 detects membrane rupture by binding to beta-galactoside ligands exposed to the cytoplasm following rupture. It is pivotal in initiating autophagy via interaction with CALCOCO2/NDP52, essential for combating bacterial invasions like S.typhimurium and Picornaviridae viruses. Galectin-8 shows a marked preference for 3'-O-sialylated and 3'-O-sulfated glycans.

Therapeutic significance:

Understanding the role of Galectin-8 could open doors to potential therapeutic strategies.

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