AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Solute carrier family 52, riboflavin transporter, member 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NWF4

UPID:

S52A1_HUMAN

Alternative names:

Porcine endogenous retrovirus A receptor 2; Protein GPR172B; Riboflavin transporter 1

Alternative UPACC:

Q9NWF4; B5MEV1; B5MEV2; Q6P9E0; Q86UT0

Background:

Solute carrier family 52, riboflavin transporter, member 1 (SLC52A1), also known as Riboflavin transporter 1, plays a crucial role in the cellular uptake of vitamin B2/riboflavin. This protein, with alternative names such as Porcine endogenous retrovirus A receptor 2 and Protein GPR172B, is essential for the metabolism of carbohydrates, lipids, and amino acids. Riboflavin, a vital nutrient humans must obtain through diet, is absorbed intestinally with the help of SLC52A1.

Therapeutic significance:

Riboflavin deficiency, a disorder linked to mutations affecting SLC52A1, manifests in severe metabolic complications. Understanding the role of SLC52A1 could open doors to potential therapeutic strategies for treating riboflavin deficiency and its associated newborn complications through targeted riboflavin supplementation.

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