AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ubiquitin D

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

O15205

UPID:

UBD_HUMAN

Alternative names:

Diubiquitin; Ubiquitin-like protein FAT10

Alternative UPACC:

O15205; B0UZT6; Q5STL2; Q5SUK2; Q96EC7

Background:

Ubiquitin D, also known as Diubiquitin or Ubiquitin-like protein FAT10, plays a crucial role in protein degradation via the 26S proteasome, influenced by NUB1 and activated by UBA6. It enhances PSMB9/LMP2 expression, regulates NF-kappa-B activation in immune responses, and is pivotal in renal tubular epithelial cells' response to TNF-alpha. Additionally, it contributes to dendritic cell maturation, chromosome stability, and apoptosis, particularly in renal diseases.

Therapeutic significance:

Understanding the role of Ubiquitin D could open doors to potential therapeutic strategies, especially in managing immune responses and renal diseases, by targeting its pathway for drug development.

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