Focused On-demand Library for Mitogen-activated protein kinase 1

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 utilise our cutting-edge, exclusive workflow to develop 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
P28482

UPID:
MK01_HUMAN

ALTERNATIVE NAMES:
ERT1; Extracellular signal-regulated kinase 2; MAP kinase isoform p42; Mitogen-activated protein kinase 2

ALTERNATIVE UPACC:
P28482; A8CZ64

BACKGROUND:
The protein Mitogen-activated protein kinase 1, known by alternative names such as ERK2, is a serine/threonine kinase essential for the MAPK/ERK cascade. This pathway is crucial for mediating cellular responses to external stimuli, affecting cell cycle, apoptosis, and differentiation. MAPK1's role extends to the regulation of transcription factors and the dynamic processes of cellular organelles.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Mitogen-activated protein kinase 1 could open doors to potential therapeutic strategies. Its critical function in Noonan syndrome 13, through gene variants affecting its expression, highlights its significance in developing targeted therapies for genetic disorders and their myriad manifestations.

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