Focused On-demand Library for Magnesium transporter NIPA4

Focused On-demand Libraries - Reaxense Collaboration

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.

Our top-notch dedicated system is used to design specialised 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q0D2K0

UPID:

NIPA4_HUMAN

Alternative names:

Ichthyin; NIPA-like protein 4; Non-imprinted in Prader-Willi/Angelman syndrome region protein 4

Alternative UPACC:

Q0D2K0; A8S6F1; A8S6F5; A8S6F8; B4DLF3; Q0D2J8; Q0D2J9

Background:

Magnesium transporter NIPA4, also known as Ichthyin, plays a crucial role in transporting Mg(2+) and other divalent cations. Its alternative names include NIPA-like protein 4 and Non-imprinted in Prader-Willi/Angelman syndrome region protein 4, highlighting its diverse functions and potential implications in various biological processes.

Therapeutic significance:

Linked to Ichthyosis, congenital, autosomal recessive 6, a disorder affecting skin differentiation and scaling, Magnesium transporter NIPA4's understanding could pave the way for innovative treatments targeting skin conditions.