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.
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.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NXA8
UPID:
SIR5_HUMAN
Alternative names:
Regulatory protein SIR2 homolog 5; SIR2-like protein 5
Alternative UPACC:
Q9NXA8; B4DFM4; B4DYJ5; F5H5Z9; Q5T294; Q5T295; Q9Y6E6
Background:
NAD-dependent protein deacylase sirtuin-5, mitochondrial, known as SIR2-like protein 5, plays a crucial role in cellular metabolism. It regulates key metabolic processes by removing malonyl, succinyl, and glutaryl groups from target proteins. This enzyme is pivotal in activating critical metabolic enzymes such as CPS1, SOD1, SHMT2, and HMGCS2, thereby influencing blood ammonia levels, reducing reactive oxygen species, and modulating ketogenesis.
Therapeutic significance:
Understanding the role of NAD-dependent protein deacylase sirtuin-5 could open doors to potential therapeutic strategies. Its involvement in crucial metabolic pathways highlights its potential as a target for metabolic disorder treatments.