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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P01270
UPID:
PTHY_HUMAN
Alternative names:
Parathormone; Parathyrin
Alternative UPACC:
P01270; Q4VB48; Q9UD38
Background:
Parathyroid hormone, also known as Parathormone or Parathyrin, plays a crucial role in regulating calcium levels in the blood. By dissolving bone salts and preventing their renal excretion, it elevates calcium levels, essential for various bodily functions including bone formation and maintenance.
Therapeutic significance:
The protein's involvement in Hypoparathyroidism, familial isolated, 1, a condition characterized by hypocalcemia and hyperphosphatemia, underscores its therapeutic significance. Understanding the role of Parathyroid hormone could open doors to potential therapeutic strategies for managing this disorder.