Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O00253
UPID:
AGRP_HUMAN
Alternative names:
-
Alternative UPACC:
O00253; O15459; Q2TBD9
Background:
The Agouti-related protein (AGRP) is a pivotal component in the regulation of body weight, acting primarily in the hypothalamus to modulate feeding behavior. It functions as an antagonist to alpha melanocyte-stimulating hormone, thereby influencing energy homeostasis and adiposity.
Therapeutic significance:
Given its crucial role in obesity, a condition marked by excessive body fat accumulation, AGRP presents a promising target for therapeutic intervention. Understanding the role of Agouti-related protein could open doors to potential therapeutic strategies.