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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
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.
Our library is unique due to several crucial aspects:
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.