Focused On-demand Library for Leucine carboxyl methyltransferase 1

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

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.

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

Q9UIC8

UPID:

LCMT1_HUMAN

Alternative names:

Protein-leucine O-methyltransferase; [Phosphatase 2A protein]-leucine-carboxy methyltransferase 1

Alternative UPACC:

Q9UIC8; A6NL89; A8K770; Q53FC5; Q96CI5; Q9H6I9; Q9NTG4; Q9Y378

Background:

Leucine carboxyl methyltransferase 1, known alternatively as Protein-leucine O-methyltransferase or [Phosphatase 2A protein]-leucine-carboxy methyltransferase 1, plays a crucial role in cellular processes by methylating the carboxyl group of the C-terminal leucine residue of protein phosphatase 2A catalytic subunits. This modification forms alpha-leucine ester residues, essential for the protein's function.

Therapeutic significance:

Understanding the role of Leucine carboxyl methyltransferase 1 could open doors to potential therapeutic strategies. Its unique enzymatic activity suggests its involvement in critical regulatory mechanisms, making it a promising target for drug discovery efforts aimed at modulating protein phosphatase 2A activity.