Focused On-demand Library for Telomerase reverse transcriptase

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.


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.


We utilise our cutting-edge, exclusive workflow to develop focused 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
O14746

UPID:
TERT_HUMAN

ALTERNATIVE NAMES:
HEST2; Telomerase catalytic subunit; Telomerase-associated protein 2

ALTERNATIVE UPACC:
O14746; O14783; Q2XS35; Q8N6C3; Q8NG38; Q8NG46

BACKGROUND:
The enzyme Telomerase reverse transcriptase, alternatively named HEST2 or Telomerase catalytic subunit, is essential for telomere elongation, impacting cell longevity and oncogenesis. It functions as a reverse transcriptase, adding telomeric repeats to chromosome ends, with its activity tightly regulated by various factors including complex-associated proteins and modifiers.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Telomerase reverse transcriptase could open doors to potential therapeutic strategies for combating diseases like aplastic anemia, various forms of dyskeratosis congenita, pulmonary fibrosis, and melanoma, by leveraging its critical function in telomere extension and cellular aging processes.

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.


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