Focused On-demand Library for Sterol O-acyltransferase 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our associate Reaxense.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

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

Alternative UPACC:

O75908; F5H7W4; I6L9H9; Q4VB99; Q4VBA1; Q96TD4; Q9UNR2


Sterol O-acyltransferase 2, also known as Acyl-coenzyme A:cholesterol acyltransferase 2 and Cholesterol acyltransferase 2, plays a pivotal role in lipid metabolism. It catalyzes the formation of fatty acid-cholesterol esters, crucial for lipoprotein assembly and dietary cholesterol absorption. This enzyme prefers oleoyl-CoA and linolenoyl-CoA as substrates, facilitating the secretion of cholesteryl esters from hepatocytes and intestinal mucosa.

Therapeutic significance:

Understanding the role of Sterol O-acyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and cholesterol absorption highlights its potential as a target for treating lipid disorders.

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