Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
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, also known as Acyl-coenzyme A:cholesterol acyltransferase 1 and Cholesterol acyltransferase 1, plays a pivotal role in lipid metabolism. It catalyzes the formation of fatty acid-cholesterol esters, crucial for maintaining membrane fluidity and facilitating lipoprotein assembly. This enzyme exhibits a preference for oleoyl-CoA as a substrate, highlighting its specificity in lipid processing.
Therapeutic significance:
Understanding the role of Sterol O-acyltransferase 1 could open doors to potential therapeutic strategies. Its involvement in cholesterol absorption and lipoprotein assembly positions it as a key target for addressing dyslipidemia and atherosclerosis, offering a pathway to novel treatments.