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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O95819
UPID:
M4K4_HUMAN
Alternative names:
HPK/GCK-like kinase HGK; MAPK/ERK kinase kinase kinase 4; Nck-interacting kinase
Alternative UPACC:
O95819; E7ESS2; O75172; Q9NST7
Background:
Mitogen-activated protein kinase kinase kinase kinase 4, also known as HPK/GCK-like kinase HGK, MAPK/ERK kinase kinase kinase 4, and Nck-interacting kinase, is a serine/threonine kinase. It plays a pivotal role in responding to environmental stress and cytokines like TNF-alpha, acting upstream of the JUN N-terminal pathway. It specifically phosphorylates SMAD1 on Thr-322, showcasing its intricate involvement in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase kinase 4 could open doors to potential therapeutic strategies. Its critical function in cellular stress responses and cytokine signaling pathways positions it as a key target for drug discovery efforts aimed at modulating these fundamental biological processes.