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.
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 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q16654
UPID:
PDK4_HUMAN
Alternative names:
Pyruvate dehydrogenase kinase isoform 4
Alternative UPACC:
Q16654
Background:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial, also known as Pyruvate dehydrogenase kinase isoform 4, is a pivotal enzyme in metabolic processes. It regulates glucose and fatty acid metabolism by phosphorylating the pyruvate dehydrogenase subunits, thereby controlling the flux through the tricarboxylic acid cycle. This enzyme's activity is crucial in maintaining energy homeostasis, especially under conditions of fasting and starvation, by shifting the metabolic focus from glucose utilization to fat metabolism.
Therapeutic significance:
Understanding the role of [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial could open doors to potential therapeutic strategies. Its involvement in insulin signaling and energy homeostasis positions it as a key target for addressing metabolic disorders and enhancing our approach to managing diseases linked to metabolism.