Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BUB5
UPID:
MKNK1_HUMAN
Alternative names:
MAP kinase signal-integrating kinase 1
Alternative UPACC:
Q9BUB5; D3DQ20; D3DQ21; O00312; Q5TC06; Q5TC07; Q6V0N6
Background:
MAP kinase-interacting serine/threonine-protein kinase 1, also known as MAP kinase signal-integrating kinase 1, plays a crucial role in cellular responses to environmental stress and cytokines. It functions by phosphorylating EIF4E, which enhances the affinity of this protein for the 7-methylguanosine-containing mRNA cap, a key step in the initiation of translation.
Therapeutic significance:
Understanding the role of MAP kinase-interacting serine/threonine-protein kinase 1 could open doors to potential therapeutic strategies.