Focused On-demand Library for Protein-L-isoaspartate(D-aspartate) O-methyltransferase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening 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.

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:

L-isoaspartyl protein carboxyl methyltransferase; Protein L-isoaspartyl/D-aspartyl methyltransferase; Protein-beta-aspartate methyltransferase

Alternative UPACC:

P22061; A8K109; J3KP72; Q14661; Q16556; Q5VYC1; Q5VYC2; Q93061; Q96II9; Q99625; Q9BQV7; Q9BQV8; Q9NP03


Protein-L-isoaspartate(D-aspartate) O-methyltransferase, also known as L-isoaspartyl protein carboxyl methyltransferase, plays a crucial role in the repair of damaged proteins. It catalyzes the methyl esterification of L-isoaspartyl and D-aspartyl residues, which are produced by spontaneous isomerization and racemization in aging peptides and proteins. This enzyme acts on a variety of substrates including EIF4EBP2, microtubule-associated protein 2, and alpha-synuclein, highlighting its broad impact on cellular function.

Therapeutic significance:

Understanding the role of Protein-L-isoaspartate(D-aspartate) O-methyltransferase could open doors to potential therapeutic strategies. Its involvement in the repair of damaged proteins suggests a fundamental role in maintaining cellular integrity and function, which could be leveraged in designing treatments for diseases characterized by protein damage and aggregation.

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