Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q99683
UPID:
M3K5_HUMAN
Alternative names:
Apoptosis signal-regulating kinase 1; MAPK/ERK kinase kinase 5
Alternative UPACC:
Q99683; A6NIA0; B4DGB2; Q5THN3; Q99461
Background:
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5), also known as Apoptosis signal-regulating kinase 1, is a pivotal serine/threonine kinase in the MAP kinase signal transduction pathway. It orchestrates cellular responses to environmental changes, influencing cell fate, differentiation, survival, and apoptosis through mitochondria-dependent caspase activation. MAP3K5 is integral to the innate immune response and mediates stressor signals like oxidative stress and inflammatory signals from TNF or LPS.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase 5 could open doors to potential therapeutic strategies. Its involvement in apoptosis, immune response, and stress response pathways highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.