Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.


We employ our advanced, specialised process to create targeted libraries for protein-protein interfaces.


 

Fig. 1. The screening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.


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
Receptor.AI
 
UPACC
Q92466

UPID:
DDB2_HUMAN

ALTERNATIVE NAMES:
DDB p48 subunit; Damage-specific DNA-binding protein 2; UV-damaged DNA-binding protein 2

ALTERNATIVE UPACC:
Q92466; B2R875; Q76E54; Q76E55; Q76E56; Q76E57

BACKGROUND:
The DNA damage-binding protein 2, known alternatively as DDB p48 subunit, Damage-specific DNA-binding protein 2, or UV-damaged DNA-binding protein 2, is integral to the body's response to UV-induced DNA damage. As part of the UV-DDB and DCX complexes, it aids in recognizing DNA damage and orchestrating repair processes. Its role extends to the ubiquitination of histones and XPC, enhancing DNA repair efficiency.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in repairing UV-induced DNA damage and its association with Xeroderma pigmentosum complementation group E, DNA damage-binding protein 2 presents a promising target for therapeutic intervention. Exploring its mechanisms further could lead to novel treatments for skin disorders and potentially prevent UV-related skin cancers.

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