Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O00168
UPID:
PLM_HUMAN
Alternative names:
FXYD domain-containing ion transport regulator 1; Sodium/potassium-transporting ATPase subunit FXYD1
Alternative UPACC:
O00168; A8K196
Background:
Phospholemman, also known as FXYD domain-containing ion transport regulator 1 or Sodium/potassium-transporting ATPase subunit FXYD1, plays a crucial role in regulating the sodium/potassium-transporting ATPase (NKA). This protein modulates NKA activity, pivotal for maintaining cellular ion balance by transporting Na(+) out and K(+) into the cell. Its activity is influenced by phosphorylation states, with phosphorylation stimulating NKA activity. Additionally, Phospholemman contributes to reversing glutathionylation-mediated inhibition of the NKA beta-1 subunit ATP1B1, and is essential for female sexual development by ensuring the excitability of neurons secreting gonadotropin-releasing hormone.
Therapeutic significance:
Understanding the role of Phospholemman could open doors to potential therapeutic strategies.