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:
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.