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.
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 our partner 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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P43155
UPID:
CACP_HUMAN
Alternative names:
Carnitine acetyltransferase
Alternative UPACC:
P43155; Q5T952; Q9BW16
Background:
Carnitine O-acetyltransferase, also known as Carnitine acetyltransferase, plays a pivotal role in fatty acid metabolism. It catalyzes the reversible transfer of acyl groups between carnitine and coenzyme A, regulating the acyl-CoA/CoA ratio. This enzyme is essential for transporting fatty acids for beta-oxidation and synthesizes various acylcarnitines, facilitating energy production from fats.
Therapeutic significance:
The enzyme's dysfunction is linked to Neurodegeneration with brain iron accumulation 8, a disorder marked by iron build-up in the brain, leading to severe neurodegenerative symptoms. Understanding Carnitine O-acetyltransferase's role could unveil new therapeutic strategies for treating this debilitating condition.