Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q12852
UPID:
M3K12_HUMAN
Alternative names:
Dual leucine zipper bearing kinase; Leucine-zipper protein kinase; MAPK-upstream kinase; Mixed lineage kinase
Alternative UPACC:
Q12852; B3KSS9; G3V1Y2; Q86VQ5; Q8WY25
Background:
Mitogen-activated protein kinase kinase kinase 12 (MAP3K12), also known as Dual leucine zipper bearing kinase, plays a crucial role in a non-canonical MAPK signaling pathway. It is activated by APOE, enhancing AP-1-mediated transcription of APP through a MAP kinase signal transduction pathway involving MAP2K7, MAPK1/ERK2, and MAPK3/ERK1. This protein may also serve as an activator of the JNK/SAPK pathway.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase 12 could open doors to potential therapeutic strategies.