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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q92918
UPID:
M4K1_HUMAN
Alternative names:
Hematopoietic progenitor kinase; MAPK/ERK kinase kinase kinase 1
Alternative UPACC:
Q92918
Background:
Mitogen-activated protein kinase kinase kinase kinase 1, also known as Hematopoietic progenitor kinase or MAPK/ERK kinase kinase kinase 1, plays a pivotal role in cellular responses to environmental stress. It functions as a serine/threonine-protein kinase, acting upstream of the JUN N-terminal pathway, and is involved in hematopoietic lineage decisions and growth regulation. This protein has the ability to autophosphorylate and, in conjunction with CLNK, enhances CD3-triggered T-cell activation and IL2 production.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase kinase 1 could open doors to potential therapeutic strategies.