Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted 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
O14733
UPID:
MP2K7_HUMAN
Alternative names:
JNK-activating kinase 2; MAPK/ERK kinase 7; Stress-activated protein kinase kinase 4; c-Jun N-terminal kinase kinase 2
Alternative UPACC:
O14733; B2R9S5; D6W659; O14648; O14816; O60452; O60453; Q1PG43; Q8IY10
Background:
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), also known as JNK-activating kinase 2 and MAPK/ERK kinase 7, plays a pivotal role in the MAP kinase signal transduction pathway. It is a key component of the SAP/JNK signaling pathway, activated by pro-inflammatory cytokines, leading to apoptosis through mitochondrial death signaling pathways, including cytochrome c release.
Therapeutic significance:
Understanding the role of Dual specificity mitogen-activated protein kinase kinase 7 could open doors to potential therapeutic strategies.