Focused On-demand Library for CTP synthase 1

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.


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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P17812

UPID:
PYRG1_HUMAN

ALTERNATIVE NAMES:
CTP synthetase 1; UTP--ammonia ligase 1

ALTERNATIVE UPACC:
P17812; B4DR64; D3DPW1; Q5VW67; Q96GK6

BACKGROUND:
CTP synthase 1, identified by its alternative names CTP synthetase 1 and UTP--ammonia ligase 1, is crucial in synthesizing CTP from UTP, a process vital for DNA, RNA, and phospholipid production. Its activity is indispensable for lymphocyte proliferation, underscoring its importance in maintaining a robust immune system.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of CTP synthase 1 could open doors to potential therapeutic strategies, especially considering its link to Immunodeficiency 24. This disease, caused by a genetic mutation in the enzyme, underscores the enzyme's significance in immune function and presents a compelling target for drug development.

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