Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
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
P25101
UPID:
EDNRA_HUMAN
Alternative names:
Endothelin receptor type A
Alternative UPACC:
P25101; B2R723; B4E2V6; B7Z9G6; D3DP03; E7ER36; O43441; Q16432; Q16433; Q8TBH2
Background:
The Endothelin-1 receptor, also known as Endothelin receptor type A, plays a pivotal role in vascular homeostasis by mediating the effects of endothelin-1. This receptor's interaction with G proteins activates a signaling cascade, enhancing calcium mobilization, crucial for various physiological responses.
Therapeutic significance:
Given its involvement in Mandibulofacial dysostosis with alopecia, characterized by facial anomalies and hearing loss, targeting the Endothelin-1 receptor offers a promising avenue for therapeutic intervention. Understanding its role could pave the way for innovative treatments for this genetic disorder.