AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein kinase TAO2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9UL54

UPID:

TAOK2_HUMAN

Alternative names:

Kinase from chicken homolog C; Prostate-derived sterile 20-like kinase 1; Thousand and one amino acid protein kinase 2

Alternative UPACC:

Q9UL54; A5PKY1; A7MCZ2; B2RN35; B7ZM88; O94957; Q6UW73; Q7LC09; Q9NSW2

Background:

Serine/threonine-protein kinase TAO2, also known as Kinase from chicken homolog C, Prostate-derived sterile 20-like kinase 1, and Thousand and one amino acid protein kinase 2, plays a pivotal role in various cellular processes. It is involved in membrane blebbing, apoptotic bodies formation, DNA damage response, and activates the MAPK14/p38 MAPK stress-activated MAPK cascade. TAO2 phosphorylates itself, MBP, activated MAPK8, MAP2K3, MAP2K6, and tubulins, influencing cell morphology and stability.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase TAO2 could open doors to potential therapeutic strategies.

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