AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Solute carrier family 41 member 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8IVJ1

UPID:

S41A1_HUMAN

Alternative names:

-

Alternative UPACC:

Q8IVJ1; Q63HJ4; Q658Z5; Q659A4; Q6MZK2

Background:

Solute carrier family 41 member 1 (SLC41A1) is a critical Na(+)/Mg(2+) ion exchanger, predominantly facilitating Mg(2+) efflux at the plasma membrane. Its activity is essential for maintaining cellular Mg(2+) homeostasis, influenced by the extracellular Na(+) concentration. SLC41A1 generates circadian Mg(2+) fluxes, impacting clock-controlled gene expression and metabolism, thus supporting higher energy demands during the day. It also plays a role in regulating ATP-dependent enzymes, crucial for metabolic processes like the Krebs cycle and the electron transport chain.

Therapeutic significance:

SLC41A1's involvement in Nephronophthisis-like nephropathy 2, a disorder leading to end-stage renal failure, underscores its therapeutic potential. Understanding the role of SLC41A1 could open doors to potential therapeutic strategies for managing this renal disorder and possibly other related metabolic dysfunctions.

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