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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P45985
UPID:
MP2K4_HUMAN
Alternative names:
JNK-activating kinase 1; MAPK/ERK kinase 4; SAPK/ERK kinase 1; Stress-activated protein kinase kinase 1; c-Jun N-terminal kinase kinase 1
Alternative UPACC:
P45985; B2R7N7; B3KYB2; D3DTS5; Q5U0B8; Q6FHX4; Q6P9H2; Q6PIE6
Background:
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) plays a pivotal role in the MAP kinase signal transduction pathway. It is a key component of the SAP/JNK signaling pathway, essential for activating MAPK8/JNK1, MAPK9/JNK2, and MAPK10/JNK3 through phosphorylation. MAP2K4's unique preference for phosphorylating the Tyr residue in the Thr-Pro-Tyr motif distinguishes it from MAP2K7, which prefers the Thr residue. This kinase is crucial for peripheral lymphoid homeostasis and is involved in the mitochondrial death signaling pathway, leading to apoptosis.
Therapeutic significance:
Understanding the role of Dual specificity mitogen-activated protein kinase kinase 4 could open doors to potential therapeutic strategies.