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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P52564
UPID:
MP2K6_HUMAN
Alternative names:
MAPK/ERK kinase 6; Stress-activated protein kinase kinase 3
Alternative UPACC:
P52564
Background:
Dual specificity mitogen-activated protein kinase kinase 6 (MAP2K6/MKK6) plays a pivotal role in the MAP kinase signal transduction pathway. It is crucial for phosphorylating MAP kinases in response to cytokines and stress, regulating cellular responses. MAP2K6/MKK6 activates MAPK11 and MAPK13 under environmental stress and is a major activator of MAPK11 in response to TNF. It also phosphorylates PAK6, leading to the activation of transcription factors such as ATF2 and ELK1, and mediates STAT4 activation in response to IL-12.
Therapeutic significance:
Understanding the role of Dual specificity mitogen-activated protein kinase kinase 6 could open doors to potential therapeutic strategies.