Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q7RTP0
UPID:
NIPA1_HUMAN
Alternative names:
Non-imprinted in Prader-Willi/Angelman syndrome region protein 1; Spastic paraplegia 6 protein
Alternative UPACC:
Q7RTP0; B2RA76; Q5HYA9; Q7KZB0; Q86XW4
Background:
Magnesium transporter NIPA1, also known as Non-imprinted in Prader-Willi/Angelman syndrome region protein 1 and Spastic paraplegia 6 protein, plays a crucial role in transporting Mg(2+) and other divalent cations. Its ability to facilitate the movement of Fe(2+), Sr(2+), Ba(2+), Mn(2+) and Co(2+) highlights its versatility, though it primarily focuses on magnesium.
Therapeutic significance:
NIPA1's mutation leads to Spastic paraplegia 6, an autosomal dominant disorder marked by progressive lower limb spasticity and weakness. Understanding the role of Magnesium transporter NIPA1 could open doors to potential therapeutic strategies for this neurodegenerative condition.