Focused On-demand Library for Mitogen-activated protein kinase kinase kinase 5

Focused On-demand Libraries - Reaxense Collaboration

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.