Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P35610

UPID:
SOAT1_HUMAN

ALTERNATIVE NAMES:
Acyl-coenzyme A:cholesterol acyltransferase 1; Cholesterol acyltransferase 1

ALTERNATIVE UPACC:
P35610; A6NC40; A8K3P4; A9Z1V7; B4DU95; Q5T0X4; Q8N1E4

BACKGROUND:
Sterol O-acyltransferase 1, identified by its alternative names Acyl-coenzyme A:cholesterol acyltransferase 1 and Cholesterol acyltransferase 1, is essential for cholesterol homeostasis. It efficiently esterifies cholesterol with fatty acids, a step critical for the solubility and transport of cholesterol within the body. The enzyme's activity towards specific substrates underscores its role in the selective processing of lipids.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Sterol O-acyltransferase 1 offers a promising avenue for therapeutic intervention. Given its central role in cholesterol management and lipoprotein formation, targeting this enzyme could lead to breakthroughs in treating cardiovascular diseases, paving the way for innovative cholesterol-lowering therapies.

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