Focused On-demand Library for N-terminal Xaa-Pro-Lys N-methyltransferase 2

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q5VVY1

UPID:

NTM1B_HUMAN

Alternative names:

Alpha N-terminal protein methyltransferase 1B; Methyltransferase-like protein 11B; X-Pro-Lys N-terminal protein methyltransferase 1B

Alternative UPACC:

Q5VVY1; B2RXI0

Background:

N-terminal Xaa-Pro-Lys N-methyltransferase 2, also known as Alpha N-terminal protein methyltransferase 1B, plays a crucial role in post-translational modification. It specifically catalyzes the monomethylation of the alpha-amino group of Ala or Ser residue in the [Ala/Ser]-Pro-Lys motif, a process vital for protein function and regulation. This enzyme's activity is pivotal in modifying proteins after the initial synthesis, impacting their stability, localization, and interaction with other molecules.

Therapeutic significance:

Understanding the role of N-terminal Xaa-Pro-Lys N-methyltransferase 2 could open doors to potential therapeutic strategies. Its unique function in protein modification underscores its importance in cellular processes and disease mechanisms, making it a compelling target for drug discovery efforts.