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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
O60832

UPID:
DKC1_HUMAN

ALTERNATIVE NAMES:
CBF5 homolog; Dyskerin; Nopp140-associated protein of 57 kDa; Nucleolar protein NAP57; Nucleolar protein family A member 4; snoRNP protein DKC1

ALTERNATIVE UPACC:
O60832; F5BSB3; O43845; Q96G67; Q9Y505

BACKGROUND:
The protein DKC1, known under various names such as Dyskerin and Nucleolar protein NAP57, is essential for the pseudouridylation of rRNA, contributing to ribosome stability and efficient protein synthesis. Its critical functions extend to telomere length regulation and cellular proliferation, marking it as a key player in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given DKC1's crucial role in diseases like Dyskeratosis congenita and Hoyeraal-Hreidarsson syndrome, research into its functions and the pathways it influences offers promising avenues for the development of targeted therapies. The exploration of DKC1 could unlock new therapeutic strategies for these life-threatening conditions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.