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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P48039
UPID:
MTR1A_HUMAN
Alternative names:
-
Alternative UPACC:
P48039; A0AVC5; B0M0L2
Background:
The Melatonin receptor type 1A, encoded by the gene symbol P48039, plays a pivotal role in the human body as a high affinity receptor for melatonin. It is instrumental in mediating the reproductive and circadian actions of melatonin through a mechanism that involves pertussis toxin-sensitive G proteins, which in turn inhibit adenylate cyclase activity.
Therapeutic significance:
Understanding the role of Melatonin receptor type 1A could open doors to potential therapeutic strategies. Its involvement in regulating circadian rhythms and reproductive functions positions it as a key target for addressing sleep disorders and reproductive health issues.