AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein-L-isoaspartate O-methyltransferase domain-containing protein 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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.

partner

Reaxense

upacc

Q96MG8

UPID:

PCMD1_HUMAN

Alternative names:

-

Alternative UPACC:

Q96MG8; F5H1M8; Q96FK9

Background:

Protein-L-isoaspartate O-methyltransferase domain-containing protein 1, identified by the accession number Q96MG8, plays a crucial role in cellular processes through its involvement in the ECS (Elongin BC-CUL5-SOCS-box protein) E3 ubiquitin ligase complex. This complex is pivotal for the ubiquitination and subsequent proteasomal degradation of target proteins. Interestingly, it binds to the methyltransferase cofactor S-adenosylmethionine (AdoMet) through its N-terminal AdoMet binding motif, despite lacking methyltransferase activity itself. Its function suggests a novel pathway for the maintenance of modified proteins, acting as a damage-specific E3 ubiquitin ligase adaptor protein.

Therapeutic significance:

Understanding the role of Protein-L-isoaspartate O-methyltransferase domain-containing protein 1 could open doors to potential therapeutic strategies. Its unique function in protein maintenance and degradation pathways highlights its potential as a target for drug discovery, aiming to modulate protein lifecycles for therapeutic benefits.

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