Focused On-demand Library for Mitogen-activated protein kinase 12

Focused On-demand Libraries - Receptor.AI Collaboration


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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P53778

UPID:
MK12_HUMAN

ALTERNATIVE NAMES:
Extracellular signal-regulated kinase 6; Mitogen-activated protein kinase p38 gamma; Stress-activated protein kinase 3

ALTERNATIVE UPACC:
P53778; Q14260; Q6IC53; Q99588; Q99672

BACKGROUND:
The protein Mitogen-activated protein kinase 12, known alternatively as Stress-activated protein kinase 3, is a serine/threonine kinase essential for the MAP kinase signal transduction pathway. It is involved in various cellular processes, including myoblast differentiation, cyclin D1 down-regulation in response to hypoxia, and UV-induced DNA damage repair. Its regulatory functions on SLC2A1 and SLC2A4 expression highlight its role in glucose uptake in muscle tissues.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Mitogen-activated protein kinase 12 could open doors to potential therapeutic strategies.

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