Focused On-demand Library for Mitogen-activated protein kinase 11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 high-tech, dedicated method is applied to construct targeted 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q15759

UPID:

MK11_HUMAN

Alternative names:

Mitogen-activated protein kinase p38 beta; Stress-activated protein kinase 2b; p38-2

Alternative UPACC:

Q15759; A8K730; B0LPG1; B7Z630; E7ETQ1; L7RT27; O00284; O15472; Q2XNF2

Background:

Mitogen-activated protein kinase 11 (MAPK11), also known as p38 beta, plays a pivotal role in the MAP kinase signal transduction pathway. This kinase is involved in cellular responses to extracellular stimuli such as pro-inflammatory cytokines or physical stress, leading to the activation of transcription factors. MAPK11's functions are largely redundant with MAPK14, targeting a wide range of proteins for phosphorylation, including kinases like RPS6KA5/MSK1 and transcription factors such as CREB1 and NF-kappa-B.

Therapeutic significance:

Understanding the role of Mitogen-activated protein kinase 11 could open doors to potential therapeutic strategies.