AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 5'-AMP-activated protein kinase subunit gamma-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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UGJ0

UPID:

AAKG2_HUMAN

Alternative names:

H91620p

Alternative UPACC:

Q9UGJ0; Q53Y07; Q6NUI0; Q75MP4; Q9NUZ9; Q9UDN8; Q9ULX8

Background:

The 5'-AMP-activated protein kinase subunit gamma-2 (H91620p) is a pivotal component of the AMPK enzyme, a guardian of cellular energy status. This subunit is crucial for AMPK's ability to respond to changes in cellular energy levels by activating energy-producing pathways and inhibiting energy-consuming processes. Its role extends to regulating cellular polarity and remodeling the actin cytoskeleton.

Therapeutic significance:

Given its involvement in Wolff-Parkinson-White syndrome, familial hypertrophic cardiomyopathy, and lethal congenital glycogen storage disease of the heart, targeting H91620p offers a promising avenue for therapeutic intervention in these genetic disorders. Understanding the role of H91620p could open doors to potential therapeutic strategies.

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