AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Endoplasmin

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

P14625

UPID:

ENPL_HUMAN

Alternative names:

94 kDa glucose-regulated protein; Heat shock protein 90 kDa beta member 1; Tumor rejection antigen 1; gp96 homolog

Alternative UPACC:

P14625; Q96A97

Background:

Endoplasmin, also known as the 94 kDa glucose-regulated protein, Heat shock protein 90 kDa beta member 1, Tumor rejection antigen 1, and gp96 homolog, plays a pivotal role in cellular processes. It functions as a molecular chaperone, aiding in the processing and transport of secreted proteins. Endoplasmin is essential for the proper folding of Toll-like receptors and participates in endoplasmic reticulum associated degradation (ERAD). Its ATPase activity and involvement in the unfolding of cytosolic leaderless cargos for translocation into the ERGIC highlight its critical cellular functions.

Therapeutic significance:

Understanding the role of Endoplasmin could open doors to potential therapeutic strategies.

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