Focused On-demand Library for NAD-dependent protein deacylase sirtuin-5, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

Regulatory protein SIR2 homolog 5; SIR2-like protein 5

Alternative UPACC:

Q9NXA8; B4DFM4; B4DYJ5; F5H5Z9; Q5T294; Q5T295; Q9Y6E6


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.

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