AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NAD-dependent protein lipoamidase sirtuin-4, mitochondrial

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q9Y6E7

UPID:

SIR4_HUMAN

Alternative names:

NAD-dependent ADP-ribosyltransferase sirtuin-4; NAD-dependent protein biotinylase sirtuin-4; NAD-dependent protein deacetylase sirtuin-4; Regulatory protein SIR2 homolog 4; SIR2-like protein 4

Alternative UPACC:

Q9Y6E7; O43346; Q32M33

Background:

NAD-dependent protein lipoamidase sirtuin-4, mitochondrial, known as SIRT4, plays a crucial role in cellular metabolism. It functions as a NAD-dependent protein lipoamidase, biotinylase, deacetylase, and ADP-ribosyl transferase, impacting various cellular processes. SIRT4 regulates the pyruvate dehydrogenase complex, mitochondrial glutamine metabolism, and lipid homeostasis through its enzymatic activities. Its ability to inhibit cell proliferation and act as a tumor suppressor highlights its significance in cellular function and disease.

Therapeutic significance:

Understanding the role of NAD-dependent protein lipoamidase sirtuin-4 could open doors to potential therapeutic strategies.

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