Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NCK7
UPID:
MOT11_HUMAN
Alternative names:
Solute carrier family 16 member 11
Alternative UPACC:
Q8NCK7
Background:
Monocarboxylate transporter 11 (MCT11), also known as Solute carrier family 16 member 11, plays a crucial role in transporting pyruvate across the plasma membrane. Its involvement in hepatic lipid metabolism is significant, as overexpression leads to altered levels of various lipids, including triacylglycerol and cholesterol ester.
Therapeutic significance:
MCT11's link to Type 2 diabetes mellitus through a risk haplotype derived from Neanderthal introgression highlights its potential as a target for therapeutic intervention. Understanding its role could pave the way for novel treatments aimed at mitigating disease susceptibility and managing metabolic syndrome components.