AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for S-adenosylmethionine synthase isoform type-2

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.

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.

Our top-notch dedicated system is used to design specialised 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

P31153

UPID:

METK2_HUMAN

Alternative names:

Methionine adenosyltransferase 2; Methionine adenosyltransferase II

Alternative UPACC:

P31153; A8K511; B4DN45; D6W5L1; Q53SP5

Background:

S-adenosylmethionine synthase isoform type-2, also known as Methionine adenosyltransferase 2, plays a pivotal role in cellular metabolism. It catalyzes the essential reaction of methionine and ATP to form S-adenosylmethionine (AdoMet), a critical methyl donor involved in numerous metabolic processes. This enzyme's activity is crucial for the synthesis of polyamines, nucleic acids, proteins, and lipids.

Therapeutic significance:

Understanding the role of S-adenosylmethionine synthase isoform type-2 could open doors to potential therapeutic strategies. Its central role in methylation processes makes it a potential target for interventions in metabolic disorders, offering a promising avenue for drug discovery and development.

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