Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
O75908

UPID:
SOAT2_HUMAN

ALTERNATIVE NAMES:
Acyl-coenzyme A:cholesterol acyltransferase 2; Cholesterol acyltransferase 2

ALTERNATIVE UPACC:
O75908; F5H7W4; I6L9H9; Q4VB99; Q4VBA1; Q96TD4; Q9UNR2

BACKGROUND:
The enzyme Sterol O-acyltransferase 2, with alternative names Acyl-coenzyme A:cholesterol acyltransferase 2 and Cholesterol acyltransferase 2, is integral to the body's lipid management. It is responsible for converting cholesterol into less soluble forms, aiding in the efficient transport and absorption of dietary cholesterol. Its activity, which is lower compared to isoform 1, is essential for the production of cholesteryl esters in liver and intestinal cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Sterol O-acyltransferase 2 offers a promising avenue for developing new treatments for cholesterol-related diseases. Its key role in managing cholesterol levels and lipid distribution makes it a valuable target for therapeutic intervention.

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