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.
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 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 for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P32245
UPID:
MC4R_HUMAN
Alternative names:
-
Alternative UPACC:
P32245; B2RAC3; Q16317; Q3MIJ6
Background:
The Melanocortin receptor 4 (MC4R) is pivotal in regulating energy homeostasis and body weight. It responds to the heptapeptide core shared by adrenocorticotropic hormone and melanocyte-stimulating hormones, influencing adenylate cyclase activity via G proteins.
Therapeutic significance:
Given its central role in energy balance, MC4R is directly linked to obesity, a condition marked by excessive body fat accumulation. Targeting MC4R presents a promising avenue for obesity treatment, highlighting its therapeutic potential.