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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q15848
UPID:
ADIPO_HUMAN
Alternative names:
30 kDa adipocyte complement-related protein; Adipocyte complement-related 30 kDa protein; Adipocyte, C1q and collagen domain-containing protein; Adipose most abundant gene transcript 1 protein; Gelatin-binding protein
Alternative UPACC:
Q15848; Q58EX9
Background:
Adiponectin, also known as Adipocyte complement-related 30 kDa protein, plays a pivotal role in fat metabolism and insulin sensitivity. It exhibits anti-diabetic, anti-atherogenic, and anti-inflammatory activities by stimulating AMPK phosphorylation and inhibiting TNF-alpha. Its ability to bind and sequester growth factors highlights its role in cell growth, angiogenesis, and tissue remodeling.
Therapeutic significance:
Adiponectin deficiency and Type 2 diabetes mellitus are directly linked to the functional disruptions of Adiponectin. Its regulatory role in glucose utilization and fatty-acid combustion, along with its anti-inflammatory effects, positions it as a critical target for therapeutic intervention in metabolic disorders.