AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 5'-AMP-activated protein kinase subunit beta-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q9Y478

UPID:

AAKB1_HUMAN

Alternative names:

-

Alternative UPACC:

Q9Y478; Q9UBV0; Q9UE20; Q9UEX2; Q9Y6V8

Background:

The 5'-AMP-activated protein kinase subunit beta-1 is a pivotal component of the AMPK complex, a crucial energy sensor in cells. It regulates energy metabolism by activating pathways that generate ATP and inhibiting those that consume energy. This subunit serves as a scaffold for the assembly of the AMPK complex, coordinating the activity of alpha and gamma subunits to ensure efficient energy management and cellular homeostasis.

Therapeutic significance:

Understanding the role of 5'-AMP-activated protein kinase subunit beta-1 could open doors to potential therapeutic strategies. Its central role in energy metabolism and cellular growth makes it a promising target for interventions in metabolic disorders and cancer.

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