AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ceroid-lipofuscinosis neuronal protein 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

Our high-tech, dedicated method is applied to construct 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O75503

UPID:

CLN5_HUMAN

Alternative names:

-

Alternative UPACC:

O75503; B3KQK7

Background:

Ceroid-lipofuscinosis neuronal protein 5, encoded by the gene with accession number O75503, is pivotal in neurodegenerative disease mechanisms. It influences the retrograde trafficking of lysosomal sorting receptors SORT1 and IGF2R, essential for cellular homeostasis. By regulating RAB7A localization and activation, it ensures the proper recruitment of the retromer complex to the endosomal membrane, a critical step in lysosomal function.

Therapeutic significance:

Given its role in neuronal ceroid lipofuscinosis type 5, a disease marked by seizures, dementia, and visual loss due to autofluorescent liposomal accumulation, understanding Ceroid-lipofuscinosis neuronal protein 5 could open doors to potential therapeutic strategies. Targeting its pathway may offer novel treatments for this progressive neurodegenerative disorder.

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