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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create targeted libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P41159
UPID:
LEP_HUMAN
Alternative names:
Obese protein; Obesity factor
Alternative UPACC:
P41159; O15158; Q56A88
Background:
Leptin, known as the obesity factor, plays a crucial role in regulating energy balance and body weight. It acts on the brain to decrease food intake and increase energy expenditure. Additionally, leptin influences various physiological processes including reproductive function, immune response, and glucose metabolism.
Therapeutic significance:
Leptin deficiency, a rare disease characterized by severe obesity and hyperphagia, underscores the protein's potential as a therapeutic target. Understanding leptin's mechanisms offers promising avenues for treating obesity and related metabolic disorders.