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:
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.