AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitochondrial intermediate peptidase

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q99797

UPID:

MIPEP_HUMAN

Alternative names:

-

Alternative UPACC:

Q99797; Q5JV15; Q5T9Q9; Q96G65

Background:

The Mitochondrial intermediate peptidase, encoded by the gene with accession number Q99797, plays a crucial role in mitochondrial function by cleaving proteins to their mature sizes after they are imported into the mitochondrion. This process is vital for maintaining mitochondrial integrity and functionality.

Therapeutic significance:

The protein is linked to Combined oxidative phosphorylation deficiency 31, a severe mitochondrial disease manifesting in early infancy with symptoms like developmental delays, seizures, and early childhood mortality. Understanding the role of Mitochondrial intermediate peptidase could open doors to potential therapeutic strategies for this debilitating condition.

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