Focused On-demand Library for EEF1A lysine methyltransferase 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 use our state-of-the-art dedicated workflow for designing focused 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.

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

Q96AZ1

UPID:

EFMT3_HUMAN

Alternative names:

Hepatocellular carcinoma-associated antigen 557a; Methyltransferase-like protein 21B; Protein-lysine methyltransferase METTL21B; eEF1A-KMT3

Alternative UPACC:

Q96AZ1; Q9H749; Q9Y3W2

Background:

EEF1A lysine methyltransferase 3 (EEF1AKMT3), also known as Methyltransferase-like protein 21B, plays a crucial role in protein synthesis. It specifically targets 'Lys-165' of the translation elongation factors EEF1A1 and EEF1A2, facilitating their mono-, di-, and trimethylation. This modification process is essential for the accurate and efficient production of proteins, highlighting EEF1AKMT3's significance in cellular mechanisms.

Therapeutic significance:

Understanding the role of EEF1A lysine methyltransferase 3 could open doors to potential therapeutic strategies. Its involvement in the critical process of protein synthesis under stress conditions, such as ER-stress, suggests that modulating its activity could have implications for diseases where protein synthesis regulation is disrupted.