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.
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.
We employ our advanced, specialised process to create targeted libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q03431
UPID:
PTH1R_HUMAN
Alternative names:
PTH/PTHrP type I receptor; Parathyroid hormone 1 receptor
Alternative UPACC:
Q03431; Q2M1U3
Background:
The Parathyroid hormone/parathyroid hormone-related peptide receptor, also known as PTH/PTHrP type I receptor, plays a pivotal role in calcium homeostasis and bone metabolism. This receptor's activation by its ligands triggers crucial signaling pathways, including adenylyl cyclase and a phosphatidylinositol-calcium second messenger system, essential for maintaining calcium balance and bone development.
Therapeutic significance:
Linked to diseases such as Metaphyseal chondrodysplasia, Jansen type, Chondrodysplasia Blomstrand type, Eiken syndrome, and Primary failure of tooth eruption, the receptor's dysfunction underscores its therapeutic potential. Targeting the PTH/PTHrP receptor could lead to innovative treatments for these skeletal dysplasias and calcium homeostasis disorders.