Focused On-demand Library for Methionine aminopeptidase 1D, mitochondrial

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
Q6UB28

UPID:
MAP12_HUMAN

ALTERNATIVE NAMES:
Methionyl aminopeptidase type 1D, mitochondrial; Peptidase M 1D

ALTERNATIVE UPACC:
Q6UB28; Q1WNX3

BACKGROUND:
The protein Methionine aminopeptidase 1D, located in mitochondria, is pivotal in the early stages of protein synthesis. It selectively cleaves the N-terminal methionine from newly formed proteins, a critical step for their proper functioning. This process is dependent on the deformylation of the N(alpha)-formylated initiator methionine, highlighting the protein's specificity and importance in cellular mechanisms.

THERAPEUTIC SIGNIFICANCE:
The exploration of Methionine aminopeptidase 1D's function offers a promising avenue for drug discovery, particularly in the context of colon cancer. By elucidating its role in protein synthesis and potential involvement in tumorigenesis, novel therapeutic interventions could be developed, targeting the early stages of protein maturation and processing.

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