AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual specificity tyrosine-phosphorylation-regulated kinase 1B

Available from Reaxense
Predicted by Alphafold

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.

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 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

Q9Y463

UPID:

DYR1B_HUMAN

Alternative names:

Minibrain-related kinase; Mirk protein kinase

Alternative UPACC:

Q9Y463; O75258; O75788; O75789

Background:

Dual specificity tyrosine-phosphorylation-regulated kinase 1B, also known as Minibrain-related kinase and Mirk protein kinase, plays a pivotal role in various cellular processes. It is involved in ribosomal DNA repair, transcription silencing during DNA damage, and enhances the transcriptional activity of key transcription factors. Moreover, it inhibits epithelial cell migration and mediates cell survival in low mitogen environments.

Therapeutic significance:

Given its involvement in abdominal obesity-metabolic syndrome 3, characterized by early-onset coronary artery disease, central obesity, hypertension, and diabetes, understanding the role of Dual specificity tyrosine-phosphorylation-regulated kinase 1B could open doors to potential therapeutic strategies.

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